Molecule

ID:59170

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-6-3-2-4-7-5-8(11)10-9(6)7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
UAIKQUZQXSTAKX-UHFFFAOYSA-N
Canonic Smiles
O=C1Cc2c(N1)c(C)ccc2
Isomeric Smiles
N1c2c(CC1=O)cccc2C
Calculated Properties
JChem
Acid pKa
13.373343
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5854716
LogD (pH = 7.4)
1.5854712
Log P
1.5854716
Molar Refractivity
44.6261
Polarizability
16.237543
Polar Surface Area
29.1
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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