Molecule

ID:135981

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
108.1464689
Exact Mass
108.07053419
Charge
0
InChI
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i8+1
InChIKey
RNVCVTLRINQCPJ-VJJZLTLGSA-N
Canonic Smiles
Cc1ccccc1[15NH2]
Isomeric Smiles
Cc1ccccc1[15NH2]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.618431
LogD (pH = 7.4)
1.6572233
Log P
1.6577413
Molar Refractivity
35.7996
Polarizability
13.263299
Polar Surface Area
26.02
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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