Molecule

ID:86750

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClN₃O₃
Molecular Mass
319.74296
Exact Mass
319.072369
Charge
0
InChI
InChI=1S/C15H14ClN3O3/c1-10-2-4-12(5-3-10)21-9-14(17)19-22-15(20)11-6-7-18-13(16)8-11/h2-8H,9H2,1H3,(H2,17,19)
InChIKey
WBCVDIKKIBYZBU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC/C(=N/OC(=O)c1ccnc(c1)Cl)/N
Isomeric Smiles
N(=C(\COc1ccc(cc1)C)/N)/OC(=O)c1ccnc(c1)Cl
Calculated Properties
JChem
Acid pKa
18.601675
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.8702412
LogD (pH = 7.4)
2.870299
Log P
2.8702998
Molar Refractivity
82.9442
Polarizability
31.575022
Polar Surface Area
86.8
Rotatable Bonds
6
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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