Molecule

ID:110472

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
InChIKey
DNFZCDLEGMEKMI-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc(c1)CC
Isomeric Smiles
CCc1cc(ccc1)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8407915
LogD (pH = 7.4)
2.8407915
Log P
2.8407915
Molar Refractivity
44.7722
Polarizability
16.237177
Polar Surface Area
29.43
Rotatable Bonds
2
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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