Molecule

ID:40986

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO₂
Molecular Mass
189.63938
Exact Mass
189.05565631
Charge
0
InChI
InChI=1S/C8H11NO2.ClH/c9-11-7-6-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKey
OVSNPPTZTPXOLP-UHFFFAOYSA-N
Canonic Smiles
NOCCOc1ccccc1.Cl
Isomeric Smiles
NOCCOc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2614245
LogD (pH = 7.4)
1.2812551
Log P
1.2815139
Molar Refractivity
42.8832
Polarizability
16.904188
Polar Surface Area
44.48
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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