Molecule

ID:55574

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-7-2-5-9(11-7)6-10-8-3-4-8;/h2,5,8,10H,3-4,6H2,1H3;1H
InChIKey
PWJIYEMNFPUNHS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNC1CC1.Cl
Isomeric Smiles
o1c(ccc1C)CNC1CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3238533
LogD (pH = 7.4)
0.40616432
Log P
1.2569672
Molar Refractivity
44.0578
Polarizability
17.116032
Polar Surface Area
25.17
Rotatable Bonds
3
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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