Molecule

ID:120350

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂ClN
Molecular Mass
215.76278
Exact Mass
215.14407739
Charge
0
InChI
InChI=1S/C12H21N.ClH/c1-7(13)12-10-3-2-9-4-8(5-10)6-11(9)12;/h7-12H,2-6,13H2,1H3;1H/t7?,8-,9?,10-,11?,12?;/m1./s1
InChIKey
KPWRIRGYZPMSLD-DTHJTBSSSA-N
Canonic Smiles
CC(C1[C@H]2CCC3C1C[C@@H](C2)C3)N.Cl
Isomeric Smiles
C12C([C@@H]3C[C@H](C2)CC1CC3)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.90172875
LogD (pH = 7.4)
-0.6090373
Log P
2.126024
Molar Refractivity
54.6726
Polarizability
22.19729
Polar Surface Area
26.02
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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