Tìm theo
4-acetamidobenzoic acid
Các tên gọi khác (16 ) :
  • 4-(Acetylamino)benzoic acid
  • 4-Acetylaminobenzoic acid
  • 4-Carboxyacetanilide
  • 4'-Carboxyacetanilide
  • Acedoben
  • Acedobene
  • Acedobenum
  • N-Acetyl-p-aminobenzoic acid
  • N-Acetyl-PABA
  • p-Acetamidobenzoic acid
  • p-Acetaminobenzoic acid
  • p-Acetoaminobenzoic acid
  • p-Acetylaminobenzoic acid
  • PAAB
  • PAcBA
  • Para acetamido benzoic acid
Thuốc Gốc
Small Molecule
CAS: 556-08-1
CTHH: C9H9NO3
PTK: 179.1727
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H9NO3
Phân tử khối
179.1727
Monoisotopic mass
179.058243159
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key
InChIKey=QCXJEYYXVJIFCE-UHFFFAOYSA-N
IUPAC Name
4-acetamidobenzoic acid
Traditional IUPAC Name
4-acetamidobenzoic acid
SMILES
CC(=O)NC1=CC=C(C=C1)C(O)=O
Độ tan chảy
260 dec °C
Độ hòa tan
1.36e+00 g/l
logP
1.31
logS
-2.1
pKa (strongest acidic)
4.16
pKa (Strongest Basic)
-4.4
PSA
66.4 Å2
Refractivity
48.18 m3·mol-1
Polarizability
17.82 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04500
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=19266
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507151
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