Molecule

ID:51277

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-2-4-14-11-15(6-5-12(14)3-1)13-7-9-16-10-8-13;/h1-6,11,13,16H,7-10H2;1H
InChIKey
IRDSROWCEHZHKY-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1ccc2c(c1)cccc2.Cl
Isomeric Smiles
c1(cc2c(cc1)cccc2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.15389042
LogD (pH = 7.4)
0.5071152
Log P
3.0677874
Molar Refractivity
67.9292
Polarizability
27.937168
Polar Surface Area
12.03
Rotatable Bonds
1
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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