Molecule

ID:50303

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂O
Molecular Mass
202.6812
Exact Mass
202.08729079
Charge
0
InChI
InChI=1S/C9H14N2O.ClH/c1-7-5-9(12-11-7)8-3-2-4-10-6-8;/h5,8,10H,2-4,6H2,1H3;1H
InChIKey
DSFJXHGRULEKOB-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1)C1CCCNC1.Cl
Isomeric Smiles
c1(onc(c1)C)C1CCCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.705717
LogD (pH = 7.4)
-1.5641204
Log P
0.45783043
Molar Refractivity
47.3682
Polarizability
18.000555
Polar Surface Area
38.06
Rotatable Bonds
1
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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