Molecule

ID:79128

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClN₃O₃
Molecular Mass
355.77506
Exact Mass
355.072369
Charge
0
InChI
InChI=1S/C18H14ClN3O3/c1-24-13-5-7-14(8-6-13)25-16-9-4-12(11-21-16)22-18(23)15-3-2-10-20-17(15)19/h2-11H,1H3,(H,22,23)
InChIKey
GMGCQIUAAMLEPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccc(cn1)NC(=O)c1cccnc1Cl
Isomeric Smiles
N(c1ccc(nc1)Oc1ccc(cc1)OC)C(=O)c1c(nccc1)Cl
Calculated Properties
JChem
Acid pKa
10.03095
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.3910515
LogD (pH = 7.4)
3.3901155
Log P
3.391081
Molar Refractivity
96.1613
Polarizability
35.96163
Polar Surface Area
73.34
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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