Tìm theo
2-(4-NITROPHENYL)ACETIC ACID
Thuốc Gốc
Small Molecule
CTHH: C8H7NO4
PTK: 181.1455
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
181.1455
Monoisotopic mass
181.037507717
InChI
InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChI Key
InChIKey=YBADLXQNJCMBKR-UHFFFAOYSA-N
IUPAC Name
2-(4-nitrophenyl)acetic acid
Traditional IUPAC Name
P-nitrophenylacetic acid
SMILES
OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
Độ hòa tan
7.91e-01 g/l
logP
1.55
logS
-2.4
pKa (strongest acidic)
3.07
pKa (Strongest Basic)
-9.7
PSA
83.12 Å2
Refractivity
44.69 m3·mol-1
Polarizability
16.27 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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