Molecule

ID:62864

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₂N₂O
Molecular Mass
251.15284
Exact Mass
250.0639685
Charge
0
InChI
InChI=1S/C10H14N2O.2ClH/c1-8-2-3-9(12-6-8)10-7-11-4-5-13-10;;/h2-3,6,10-11H,4-5,7H2,1H3;2*1H
InChIKey
IUPFNQPHCVZGFG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nc1)C1CNCCO1.Cl.Cl
Isomeric Smiles
n1c(C2OCCNC2)ccc(c1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3870592
LogD (pH = 7.4)
0.33005327
Log P
0.90227133
Molar Refractivity
50.4879
Polarizability
20.043709
Polar Surface Area
34.15
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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