Molecule

ID:19472

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N
Molecular Mass
197.2756
Exact Mass
197.12044949
Charge
0
InChI
InChI=1S/C14H15N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
InChIKey
KMKYKXAYRUYGKI-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccccc1C
Isomeric Smiles
c1(c2c(CN)cccc2)c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2568563
LogD (pH = 7.4)
1.053409
Log P
3.259661
Molar Refractivity
64.7088
Polarizability
26.625149
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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