Molecule

ID:108952

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N
Molecular Mass
185.2649
Exact Mass
185.12044949
Charge
0
InChI
InChI=1S/C13H15N/c1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKey
ZFIHCQGXRHANID-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccnc2c1cccc2)C
Isomeric Smiles
CC(C)Cc1ccnc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6725223
LogD (pH = 7.4)
3.8182216
Log P
3.8204782
Molar Refractivity
58.7711
Polarizability
24.376673
Polar Surface Area
12.89
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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