Molecule

ID:53240

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O
Molecular Mass
188.65462
Exact Mass
188.07164073
Charge
0
InChI
InChI=1S/C8H13ClN2O/c1-6(2)3-4-7-10-8(5-9)12-11-7/h6H,3-5H2,1-2H3
InChIKey
HJXRPVMCMUCUMB-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)CCC(C)C
Isomeric Smiles
n1c(noc1CCl)CCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8881993
LogD (pH = 7.4)
2.8881993
Log P
2.8881993
Molar Refractivity
48.8699
Polarizability
18.290676
Polar Surface Area
38.92
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
No Data Available
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Molecule Details
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References
Bioactivity
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