Molecule

ID:129121

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
MFOUDYKPLGXPGO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(c1ccccc1)C(C)C
Isomeric Smiles
CC(C)N(c1ccccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.770527
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.385749
LogD (pH = 7.4)
2.385749
Log P
2.385749
Molar Refractivity
57.9575
Polarizability
22.550495
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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