Molecule

ID:52576

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClN
Molecular Mass
209.71514
Exact Mass
209.0971272
Charge
0
InChI
InChI=1S/C12H16ClN/c13-14-9-5-4-8-12(14)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey
YKNHGPXMQSZYHW-UHFFFAOYSA-N
Canonic Smiles
ClN1CCCCC1Cc1ccccc1
Isomeric Smiles
C1CN(C(CC1)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1139312
LogD (pH = 7.4)
3.1139376
Log P
3.1139376
Molar Refractivity
61.2095
Polarizability
23.909561
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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