Molecule
ID:21842
General Information
Molecular Formula
C₁₄H₁₃N
Molecular Mass
195.25972
Exact Mass
195.10479942
Charge
0
InChI
InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2/b7-6+
InChIKey
VFPLSXYJYAKZCT-VOTSOKGWSA-N
Canonic Smiles
Nc1ccc(cc1)/C=C/c1ccccc1
Isomeric Smiles
C(=C\c1ccccc1)/c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4598575
LogD (pH = 7.4)
3.4838462
Log P
3.484161
Molar Refractivity
66.2132
Polarizability
24.762356
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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