Molecule

ID:39915

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-11(2,8-12)10(14)13-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKey
GRKXHRAZNFTCCO-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Nc1ccccc1)(C)C
Isomeric Smiles
C(=O)(C(CCl)(C)C)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.853219
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0843134
LogD (pH = 7.4)
3.0843132
Log P
3.0843134
Molar Refractivity
59.4491
Polarizability
22.549122
Polar Surface Area
29.1
Rotatable Bonds
3
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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