Molecule

ID:55017

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂O
Molecular Mass
225.11556
Exact Mass
224.04831844
Charge
0
InChI
InChI=1S/C8H12N2O.2ClH/c9-5-6-11-8-3-1-7(10)2-4-8;;/h1-4H,5-6,9-10H2;2*1H
InChIKey
PRWMFXSGVQEMCN-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)N.Cl.Cl
Isomeric Smiles
c1(N)ccc(cc1)OCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.920328
LogD (pH = 7.4)
-1.6685214
Log P
0.18966478
Molar Refractivity
45.1714
Polarizability
17.353832
Polar Surface Area
61.27
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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