Molecule

ID:79231

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₄
Molecular Mass
322.7436
Exact Mass
322.07203465
Charge
0
InChI
InChI=1S/C15H15ClN2O4/c1-15(2,8-16)13(20)22-10-5-3-9(4-6-10)7-11-12(19)18-14(21)17-11/h3-7H,8H2,1-2H3,(H2,17,18,19,21)
InChIKey
MAEGLESFZMJTSQ-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Oc1ccc(cc1)/C=C\1/NC(=O)NC1=O)(C)C
Isomeric Smiles
N1C(=O)N/C(=C/c2ccc(cc2)OC(=O)C(CCl)(C)C)/C1=O
Calculated Properties
JChem
Acid pKa
8.229965
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1573222
LogD (pH = 7.4)
2.0989401
Log P
2.1581209
Molar Refractivity
81.388
Polarizability
31.07599
Polar Surface Area
84.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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