Molecule

ID:74536

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3
InChIKey
QRWRJDVVXAXGBT-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c(N1)cccc2
Isomeric Smiles
N1c2c(cccc2)CC1C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8581741
LogD (pH = 7.4)
1.9019004
Log P
1.9024875
Molar Refractivity
43.9802
Polarizability
16.211285
Polar Surface Area
12.03
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
No Data Available
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Molecule Details
References
Bioactivity
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