Molecule

ID:130639

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO
Molecular Mass
121.13658
Exact Mass
121.05276385
Charge
0
InChI
InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
InChIKey
FXWFZIRWWNPPOV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N
Isomeric Smiles
c1ccc(c(c1)C=O)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5062885
LogD (pH = 7.4)
1.5068154
Log P
1.5068222
Molar Refractivity
37.3424
Polarizability
13.361032
Polar Surface Area
43.09
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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