Molecule

ID:76938

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N
Molecular Mass
209.2863
Exact Mass
209.12044949
Charge
0
InChI
InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
InChIKey
WJZSZXCWMATYFX-UHFFFAOYSA-N
Canonic Smiles
CC1=Nc2c(C1(C)C)c1ccccc1cc2
Isomeric Smiles
N1=C(C(c2c3c(ccc12)cccc3)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1053486
LogD (pH = 7.4)
4.215994
Log P
4.21761
Molar Refractivity
69.13
Polarizability
27.169132
Polar Surface Area
12.36
Rotatable Bonds
0
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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