Molecule

ID:69831

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N
Molecular Mass
197.2756
Exact Mass
197.12044949
Charge
0
InChI
InChI=1S/C14H15N/c1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKey
ACWJKFBBRPYPLL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)Nc1ccccc1
Isomeric Smiles
N(c1cc(c(cc1)C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4399853
LogD (pH = 7.4)
4.440014
Log P
4.4400144
Molar Refractivity
64.6266
Polarizability
24.668213
Polar Surface Area
12.03
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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