Molecule

ID:7922

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N
Molecular Mass
197.2756
Exact Mass
197.12044949
Charge
0
InChI
InChI=1S/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey
WHPLBPSDTIZFSX-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1ccc(cc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.02533902
LogD (pH = 7.4)
0.7349328
Log P
3.034901
Molar Refractivity
64.4226
Polarizability
26.626776
Polar Surface Area
26.02
Rotatable Bonds
3
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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