Molecule

ID:1285

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈ClN₃O₃
Molecular Mass
371.81752
Exact Mass
371.10366913
Charge
0
InChI
InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKey
PXBVEXGRHZFEOF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=NC(C(=O)N2C)OC(=O)N(C)C)c1ccccc1
Isomeric Smiles
Clc1cc2c(N(C(=O)C(OC(=O)N(C)C)N=C2c2ccccc2)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.342279
LogD (pH = 7.4)
3.342279
Log P
3.342279
Molar Refractivity
98.6319
Polarizability
37.777706
Polar Surface Area
62.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.48
LOG S
-4.31
Solubility (Water)
1.82e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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