Molecule

ID:18569

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
InChIKey
GEACTTPEMXZJFB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1c(C)[nH]c2c1cccc2
Isomeric Smiles
c1(c([nH]c2c1cccc2)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.431039
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3665605
LogD (pH = 7.4)
2.3665602
Log P
2.3665605
Molar Refractivity
57.4502
Polarizability
22.851612
Polar Surface Area
32.86
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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