Molecule

ID:81024

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂NO
Molecular Mass
282.16512
Exact Mass
281.0374194
Charge
0
InChI
InChI=1S/C14H13Cl2NO/c15-13-5-1-11(2-6-13)9-17(18)10-12-3-7-14(16)8-4-12/h1-8,18H,9-10H2
InChIKey
LJISSWQMTWDSGS-UHFFFAOYSA-N
Canonic Smiles
ON(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
Isomeric Smiles
N(Cc1ccc(cc1)Cl)(Cc1ccc(cc1)Cl)O
Calculated Properties
JChem
Acid pKa
15.558415
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0822587
LogD (pH = 7.4)
4.082309
Log P
4.0823092
Molar Refractivity
75.2928
Polarizability
29.468422
Polar Surface Area
23.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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