Molecule

ID:85973

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂O₂
Molecular Mass
274.70234
Exact Mass
274.05090528
Charge
0
InChI
InChI=1S/C14H11ClN2O2/c1-10-4-6-11(7-5-10)9-17-19-14(18)12-3-2-8-16-13(12)15/h2-9H,1H3
InChIKey
UZSZYAJBFAQCCN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)/C=N/OC(=O)c1cccnc1Cl
Isomeric Smiles
N(=C\c1ccc(cc1)C)/OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0122466
LogD (pH = 7.4)
4.0122657
Log P
4.012266
Molar Refractivity
75.0361
Polarizability
27.887922
Polar Surface Area
51.55
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
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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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