Molecule

ID:19391

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;/h2-3,6-7,12-13H,4-5,8-9H2,1H3;1H
InChIKey
VBPXEMVLSQEFSU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1C1CCCCN1.Cl
Isomeric Smiles
c1(C2NCCCC2)c(C)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2499427
LogD (pH = 7.4)
0.6174064
Log P
2.9551492
Molar Refractivity
56.1594
Polarizability
22.156078
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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