Molecule

ID:75333

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
IZISMXMXCLUHGI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.863574
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6145372
LogD (pH = 7.4)
3.6145372
Log P
3.6145372
Molar Refractivity
59.4282
Polarizability
22.592144
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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