Molecule

ID:129940

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈Cl₂N₂O₂
Molecular Mass
365.25372
Exact Mass
364.07453319
Charge
0
InChI
InChI=1S/C18H18Cl2N2O2/c1-11-9-14(20)10-15(18(11)24)17(22-8-2-3-16(21)23)12-4-6-13(19)7-5-12/h4-7,9-10,22H,2-3,8H2,1H3,(H2,21,23)
InChIKey
SOKTYCGXWGIOCB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCCN/C(=C\1/C=C(Cl)C=C(C1=O)C)/c1ccc(cc1)Cl
Isomeric Smiles
O=C1C(=CC(=C/C/1=C(/NCCCC(=O)N)\c1ccc(Cl)cc1)Cl)C
Calculated Properties
JChem
Acid pKa
15.1407385
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6240232
LogD (pH = 7.4)
2.6530848
Log P
2.6534681
Molar Refractivity
100.1674
Polarizability
37.17567
Polar Surface Area
72.19
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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