Molecule

ID:30229

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂O
Molecular Mass
202.6812
Exact Mass
202.08729079
Charge
0
InChI
InChI=1S/C9H15ClN2O/c1-8-7-9(2)12(11-8)4-6-13-5-3-10/h7H,3-6H2,1-2H3
InChIKey
PCBUUPGQRUXOKI-UHFFFAOYSA-N
Canonic Smiles
ClCCOCCn1nc(cc1C)C
Isomeric Smiles
n1(nc(cc1C)C)CCOCCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3466363
LogD (pH = 7.4)
1.3495148
Log P
1.3495517
Molar Refractivity
65.0894
Polarizability
20.489828
Polar Surface Area
27.05
Rotatable Bonds
5
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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