Molecule

ID:31735

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂NO₂
Molecular Mass
250.12172
Exact Mass
249.03233402
Charge
0
InChI
InChI=1S/C10H12ClNO2.ClH/c11-8-5-7(1-2-12)6-9-10(8)14-4-3-13-9;/h5-6H,1-4,12H2;1H
InChIKey
JOGDEGREPKXWLU-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc2OCCOc2c(c1)Cl.Cl
Isomeric Smiles
c12c(cc(cc1Cl)CCN)OCCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5039358
LogD (pH = 7.4)
-0.7833749
Log P
1.5048527
Molar Refractivity
55.0486
Polarizability
21.67485
Polar Surface Area
44.48
Rotatable Bonds
2
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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