Molecule

ID:20904

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₂N₂O
Molecular Mass
251.15284
Exact Mass
250.0639685
Charge
0
InChI
InChI=1S/C10H14N2O.2ClH/c1-3-9(7-11-5-1)13-10-4-2-6-12-8-10;;/h1,3,5,7,10,12H,2,4,6,8H2;2*1H
InChIKey
AXZMZXDRJIBQRB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1cccnc1.Cl.Cl
Isomeric Smiles
N1CC(Oc2cnccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5189693
LogD (pH = 7.4)
-1.3043404
Log P
0.69906324
Molar Refractivity
50.2999
Polarizability
20.11107
Polar Surface Area
34.15
Rotatable Bonds
2
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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