Molecule

ID:31173

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-7-4-8(2)11(9(3)5-7)13-10(14)6-12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKey
YQYQXBOOGVRRKI-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1c(C)cc(cc1C)C
Isomeric Smiles
c1(NC(=O)CCl)c(cc(cc1C)C)C
Calculated Properties
JChem
Acid pKa
14.125144
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2885642
LogD (pH = 7.4)
3.288564
Log P
3.2885642
Molar Refractivity
60.7978
Polarizability
22.323881
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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