Molecule

ID:69880

General Information
Structure
Molecular Formula
C₁₄H₁₅N
Molecular Mass
197.2756
Exact Mass
197.12044949
Charge
0
InChI
InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey
RHPVVNRNAHRJOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Nc1ccc(cc1)C
Isomeric Smiles
N(c1ccc(cc1)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.439952
LogD (pH = 7.4)
4.4400134
Log P
4.4400144
Molar Refractivity
64.6266
Polarizability
24.667469
Polar Surface Area
12.03
Rotatable Bonds
2
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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