Molecule

ID:16894

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-3-13(11(14)8-12)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKey
HDVSUKKVAMUTGV-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)C)C(=O)CCl
Isomeric Smiles
N(c1cc(ccc1)C)(C(=O)CCl)CC
Calculated Properties
JChem
Acid pKa
16.7918
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4825954
LogD (pH = 7.4)
2.4825954
Log P
2.4825954
Molar Refractivity
58.5799
Polarizability
22.474419
Polar Surface Area
20.31
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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