Molecule

ID:30098

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKey
SNTFEJUFBPIDON-UHFFFAOYSA-N
Canonic Smiles
NC(Cc1ccccc1)Cc1ccccc1.Cl
Isomeric Smiles
C(Cc1ccccc1)(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4431889
LogD (pH = 7.4)
1.0209434
Log P
3.4605768
Molar Refractivity
68.3242
Polarizability
26.929451
Polar Surface Area
26.02
Rotatable Bonds
4
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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