Molecule

ID:56346

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀ClNO₃
Molecular Mass
311.7192
Exact Mass
311.03492087
Charge
0
InChI
InChI=1S/C17H10ClNO3/c18-17(20)12-8-14(19-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15/h1-8H,9H2
InChIKey
GCHYWUOYLFJJMT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc2c(OCO2)cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.9780943
LogD (pH = 7.4)
3.9781218
Log P
3.9781222
Molar Refractivity
81.6251
Polarizability
34.105522
Polar Surface Area
48.42
Rotatable Bonds
2
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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