Molecule

ID:57921

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₃
Molecular Mass
153.13538
Exact Mass
153.04259309
Charge
0
InChI
InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+
InChIKey
YIAZXUFZAYNWTP-XBXARRHUSA-N
Canonic Smiles
O/N=C/c1ccc(cc1O)O
Isomeric Smiles
c1(c(ccc(c1)O)/C=N/O)O
Calculated Properties
JChem
Acid pKa
7.4599996
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0833108
LogD (pH = 7.4)
0.8168583
Log P
1.0880973
Molar Refractivity
40.4255
Polarizability
14.828631
Polar Surface Area
73.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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