Molecule

ID:36353

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆Cl₂N₂O₃
Molecular Mass
367.22654
Exact Mass
366.05379774
Charge
0
InChI
InChI=1S/C17H16Cl2N2O3/c18-13-7-6-12(15(19)8-13)9-20-16(22)10-21(11-17(23)24)14-4-2-1-3-5-14/h1-8H,9-11H2,(H,20,22)(H,23,24)
InChIKey
MDPLMKWWDQHDDH-UHFFFAOYSA-N
Canonic Smiles
O=C(CN(c1ccccc1)CC(=O)O)NCc1ccc(cc1Cl)Cl
Isomeric Smiles
N(CC(=O)NCc1c(cc(cc1)Cl)Cl)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.953209
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8320984
LogD (pH = 7.4)
0.20126194
Log P
3.386552
Molar Refractivity
93.5969
Polarizability
35.796658
Polar Surface Area
69.64
Rotatable Bonds
7
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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