Molecule

ID:21918

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+
InChIKey
ORIHZIZPTZTNCU-VMPITWQZSA-N
Canonic Smiles
O/N=C/c1ccccc1O
Isomeric Smiles
c1(c(O)cccc1)/C=N/O
Calculated Properties
JChem
Acid pKa
7.5296755
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3874935
LogD (pH = 7.4)
1.1516161
Log P
1.3916626
Molar Refractivity
38.4446
Polarizability
14.1868925
Polar Surface Area
52.82
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
References
Bioactivity
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