Molecule

ID:76013

General Information
Structure
Molecular Formula
C₁₂H₁₉Cl₂NO
Molecular Mass
264.19136
Exact Mass
263.08436959
Charge
0
InChI
InChI=1S/C12H18ClNO.ClH/c1-14(2)8-3-9-15-12-6-4-11(10-13)5-7-12;/h4-7H,3,8-10H2,1-2H3;1H
InChIKey
QJUMEHQGZPKXLM-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)OCCCN(C)C.Cl
Isomeric Smiles
ClCc1ccc(cc1)OCCCN(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.82817733
LogD (pH = 7.4)
0.6284483
Log P
2.481421
Molar Refractivity
65.2726
Polarizability
25.390402
Polar Surface Area
12.47
Rotatable Bonds
6
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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