Molecule

ID:34863

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChIKey
LZAYOZUFUAMFLD-UHFFFAOYSA-N
Canonic Smiles
OC1(CCNCC1)c1ccc(cc1)Cl
Isomeric Smiles
C1(c2ccc(cc2)Cl)(CCNCC1)O
Calculated Properties
JChem
Acid pKa
13.965811
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7768415
LogD (pH = 7.4)
-0.5950311
Log P
1.3774676
Molar Refractivity
57.7247
Polarizability
22.806858
Polar Surface Area
32.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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