Molecule

ID:15037

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-10-7-8-11-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
InChIKey
CASKQKBFZJNUSV-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1ccccc1.Cl
Isomeric Smiles
N(CCOc1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7233629
LogD (pH = 7.4)
-0.63691103
Log P
1.4511712
Molar Refractivity
45.2456
Polarizability
18.07153
Polar Surface Area
21.26
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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