Molecule

ID:21888

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃Cl₂N
Molecular Mass
206.11222
Exact Mass
205.04250478
Charge
0
InChI
InChI=1S/C9H12ClN.ClH/c1-2-11-7-8-3-5-9(10)6-4-8;/h3-6,11H,2,7H2,1H3;1H
InChIKey
MXQGTQFOWKTKSP-UHFFFAOYSA-N
Canonic Smiles
CCNCc1ccc(cc1)Cl.Cl
Isomeric Smiles
c1(Cl)ccc(cc1)CNCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6960231
LogD (pH = 7.4)
0.30591452
Log P
2.4924474
Molar Refractivity
48.8594
Polarizability
19.239265
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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