Molecule

ID:70331

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₂N₂O
Molecular Mass
251.15284
Exact Mass
250.0639685
Charge
0
InChI
InChI=1S/C10H14N2O.2ClH/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;;/h1-2,5-6,10,12H,3-4,7-8H2;2*1H
InChIKey
NCBQKBGLOIQMLC-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccncc1.Cl.Cl
Isomeric Smiles
c1cc(ccn1)OC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6859562
LogD (pH = 7.4)
-2.1642942
Log P
0.24166031
Molar Refractivity
50.5207
Polarizability
20.107784
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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