Molecule

ID:14964

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₂O
Molecular Mass
239.14214
Exact Mass
238.0639685
Charge
0
InChI
InChI=1S/C9H14N2O.2ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;;/h1-2,7,10H,3-6,8H2;2*1H
InChIKey
ICRAXRAFGWHSSV-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1ccco1.Cl.Cl
Isomeric Smiles
N1(Cc2ccco2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.717327
LogD (pH = 7.4)
-1.3909398
Log P
0.43896088
Molar Refractivity
47.747
Polarizability
18.718998
Polar Surface Area
28.41
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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