Molecule

ID:116488

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₅ClN₂O₂
Molecular Mass
350.7983
Exact Mass
350.08220541
Charge
0
InChI
InChI=1S/C20H15ClN2O2/c1-12-6-7-13-11-14(18(21)22-17(13)10-12)8-9-23-19(24)15-4-2-3-5-16(15)20(23)25/h2-7,10-11H,8-9H2,1H3
InChIKey
PSIUAVCYCJNOMH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(c(c2)CCN1C(=O)c2c(C1=O)cccc2)Cl
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1c(nc2c(c1)ccc(c2)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4255238
LogD (pH = 7.4)
4.4255314
Log P
4.4255314
Molar Refractivity
98.4077
Polarizability
37.703014
Polar Surface Area
50.27
Rotatable Bonds
3
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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