Molecule

ID:41764

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO
Molecular Mass
255.699
Exact Mass
255.04509163
Charge
0
InChI
InChI=1S/C15H10ClNO/c1-2-11-4-3-5-14(10-11)17-15(18)12-6-8-13(16)9-7-12/h1,3-10H,(H,17,18)
InChIKey
ZKBCFKKNKKMUEN-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(c1)NC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Nc1cc(C#C)ccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.796211
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8200104
LogD (pH = 7.4)
3.819994
Log P
3.8200107
Molar Refractivity
71.5686
Polarizability
27.376001
Polar Surface Area
29.1
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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