Molecule

ID:35363

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-2-9(8-10)11(14)4-6-13-7-5-11/h1-3,8,13-14H,4-7H2
InChIKey
PDJGUVHLVCOIFF-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C1(O)CCNCC1
Isomeric Smiles
C1(c2cc(Cl)ccc2)(CCNCC1)O
Calculated Properties
JChem
Acid pKa
13.928511
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7751279
LogD (pH = 7.4)
-0.5863249
Log P
1.3774676
Molar Refractivity
57.7247
Polarizability
22.807714
Polar Surface Area
32.26
Rotatable Bonds
1
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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