Molecule

ID:33230

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂NO₂
Molecular Mass
310.17522
Exact Mass
309.03233402
Charge
0
InChI
InChI=1S/C15H13Cl2NO2/c1-20-15(19)10-3-6-13(7-4-10)18-9-11-2-5-12(16)8-14(11)17/h2-8,18H,9H2,1H3
InChIKey
KFHRDVCKCLTQIO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)NCc1ccc(cc1Cl)Cl
Isomeric Smiles
C(=O)(c1ccc(NCc2c(cc(cc2)Cl)Cl)cc1)OC
Calculated Properties
JChem
Acid pKa
18.771431
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3817754
LogD (pH = 7.4)
4.3820596
Log P
4.3820634
Molar Refractivity
82.4993
Polarizability
31.079853
Polar Surface Area
38.33
Rotatable Bonds
5
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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