Molecule

ID:15015

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂O
Molecular Mass
225.11556
Exact Mass
224.04831844
Charge
0
InChI
InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-3-7(5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
InChIKey
FBNBTWSJOGMIRI-UHFFFAOYSA-N
Canonic Smiles
NNCc1cccc(c1)OC.Cl.Cl
Isomeric Smiles
c1cc(cc(c1)CNN)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.566569
LogD (pH = 7.4)
0.7536938
Log P
0.7566876
Molar Refractivity
55.9715
Polarizability
17.539106
Polar Surface Area
47.28
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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