Molecule

ID:88600

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N
Molecular Mass
195.25972
Exact Mass
195.10479942
Charge
0
InChI
InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3
InChIKey
PLAZXGNBGZYJSA-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccccc2c2c1cccc2
Isomeric Smiles
n1(c2c(cccc2)c2ccccc12)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6713698
LogD (pH = 7.4)
3.6713698
Log P
3.6713698
Molar Refractivity
63.1175
Polarizability
26.929577
Polar Surface Area
4.93
Rotatable Bonds
1
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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