Molecule

ID:87202

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O₂
Molecular Mass
204.65402
Exact Mass
204.06655535
Charge
0
InChI
InChI=1S/C8H12N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5,10H,9H2,1-2H3;1H
InChIKey
HRSRMSMAVYUKRC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(NN)ccc1OC.Cl
Isomeric Smiles
O(c1c(cc(cc1)NN)OC)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.85471046
LogD (pH = 7.4)
1.0464602
Log P
1.0495459
Molar Refractivity
48.6911
Polarizability
17.93074
Polar Surface Area
56.51
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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