Molecule

ID:125227

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey
ACRITBNCBMTINK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c(cc1CC(N)C)OC
Isomeric Smiles
Clc1cc(OC)c(cc1OC)CC(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.92220676
LogD (pH = 7.4)
-0.30236703
Log P
2.0929527
Molar Refractivity
61.4364
Polarizability
24.227516
Polar Surface Area
44.48
Rotatable Bonds
4
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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