Molecule

ID:88320

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-9-3-4-11(7-10(9)2)8-13-12-5-6-12;/h3-4,7,12-13H,5-6,8H2,1-2H3;1H
InChIKey
HSEWQKFQJMVCAE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)CNC1CC1.Cl
Isomeric Smiles
N(C1CC1)Cc1cc(c(cc1)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.15269096
LogD (pH = 7.4)
0.9218829
Log P
3.024002
Molar Refractivity
56.5996
Polarizability
22.074478
Polar Surface Area
12.03
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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