Molecule

ID:60550

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKey
XMIFWHHFOCEJRN-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NC(c1ccccc1)C
Isomeric Smiles
N(C(=O)CCCl)C(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
14.121783
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1087923
LogD (pH = 7.4)
2.1087923
Log P
2.1087925
Molar Refractivity
57.8466
Polarizability
22.557219
Polar Surface Area
29.1
Rotatable Bonds
4
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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