Tìm theo
N-Benzylformamide
Thuốc Gốc
Small Molecule
CAS: 6343-54-0
CTHH: C8H9NO
PTK: 135.1632
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H9NO
Phân tử khối
135.1632
Monoisotopic mass
135.068413915
InChI
InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
InChI Key
InChIKey=IIBOGKHTXBPGEI-UHFFFAOYSA-N
IUPAC Name
N-benzylformamide
Traditional IUPAC Name
N-benzylformamide
SMILES
O=CNCC1=CC=CC=C1
Độ hòa tan
3.97e+00 g/l
logP
0.87
logS
-1.5
pKa (strongest acidic)
16.11
pKa (Strongest Basic)
-0.96
PSA
29.1 Å2
Refractivity
39.48 m3·mol-1
Polarizability
14.42 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02481
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=80654
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506926
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C15561
ChemSpider
http://www.chemspider.com/Chemical-Structure.72839.html
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