Molecule

ID:62254

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O
Molecular Mass
243.1739
Exact Mass
242.09526863
Charge
0
InChI
InChI=1S/C9H18N2O.2ClH/c1-11(2)9(12)7-8-3-5-10-6-4-8;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKey
BJBJDEMBSULYLM-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)CC1CCNCC1)C.Cl.Cl
Isomeric Smiles
C(=O)(N(C)C)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5121543
LogD (pH = 7.4)
-2.8465707
Log P
-0.29075682
Molar Refractivity
49.266
Polarizability
19.311396
Polar Surface Area
32.34
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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