Molecule

ID:55869

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H
InChIKey
AASCJSPDUDWGGQ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)(c1ccccc1)C.Cl
Isomeric Smiles
c1(C(c2ccccc2)(CN)C)ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.28779417
LogD (pH = 7.4)
1.3075129
Log P
3.2644532
Molar Refractivity
78.7455
Polarizability
27.006836
Polar Surface Area
26.02
Rotatable Bonds
3
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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