Molecule

ID:90656

General Information
Structure
Molecular Formula
C₉H₁₃Cl₂N
Molecular Mass
206.11222
Exact Mass
205.04250478
Charge
0
InChI
InChI=1S/C9H12ClN.ClH/c1-9(2,11)7-5-3-4-6-8(7)10;/h3-6H,11H2,1-2H3;1H
InChIKey
JESZAZPKQAAOAP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C(N)(C)C.Cl
Isomeric Smiles
Clc1c(cccc1)C(C)(C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.60319114
LogD (pH = 7.4)
0.18640018
Log P
2.4002106
Molar Refractivity
48.3932
Polarizability
19.243807
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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