Molecule

ID:41389

General Information
Structure
Molecular Formula
C₁₄H₁₂Cl₂N₂O
Molecular Mass
295.16388
Exact Mass
294.03266837
Charge
0
InChI
InChI=1S/C14H12Cl2N2O/c1-9-10(7-17)3-5-14(19)18(9)8-11-2-4-12(15)6-13(11)16/h2,4,6H,3,5,8H2,1H3
InChIKey
BMZDBVJWORRVFW-UHFFFAOYSA-N
Canonic Smiles
N#CC1=C(C)N(C(=O)CC1)Cc1ccc(cc1Cl)Cl
Isomeric Smiles
N1(C(=C(CCC1=O)C#N)C)Cc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7651858
LogD (pH = 7.4)
2.7651858
Log P
2.7651858
Molar Refractivity
76.8685
Polarizability
28.919415
Polar Surface Area
44.1
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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