Molecule

ID:110102

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃N
Molecular Mass
171.23832
Exact Mass
171.10479942
Charge
0
InChI
InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKey
AJUXDFHPVZQOGF-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc2c1cccc2)C
Isomeric Smiles
CN(C)c1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.910234
LogD (pH = 7.4)
3.0683272
Log P
3.0707664
Molar Refractivity
56.9368
Polarizability
22.818611
Polar Surface Area
3.24
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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