Molecule

ID:88321

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-9-4-3-5-11(10(9)2)8-13-12-6-7-12;/h3-5,12-13H,6-8H2,1-2H3;1H
InChIKey
WLLZUEMEHNSROV-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CNC2CC2)cccc1C.Cl
Isomeric Smiles
N(C1CC1)Cc1cccc(c1C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.151546
LogD (pH = 7.4)
0.9293761
Log P
3.024002
Molar Refractivity
56.5996
Polarizability
22.074741
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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