Molecule

ID:75674

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey
BLRHMMGNCXNXJL-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1cccc2
Isomeric Smiles
n1(c2c(cccc2)cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2956839
LogD (pH = 7.4)
2.2956839
Log P
2.2956839
Molar Refractivity
42.0412
Polarizability
17.422789
Polar Surface Area
4.93
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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