Molecule

ID:48005

General Information
Structure
Molecular Formula
C₁₂H₂₆Cl₂N₂O
Molecular Mass
285.25364
Exact Mass
284.14221882
Charge
0
InChI
InChI=1S/C12H24N2O.2ClH/c1-14(12-3-2-6-13-9-12)10-11-4-7-15-8-5-11;;/h11-13H,2-10H2,1H3;2*1H
InChIKey
BPOMVRAGMWAKRC-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCNC1)CC1CCOCC1.Cl.Cl
Isomeric Smiles
N(CC1CCOCC1)(C1CNCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4008315
LogD (pH = 7.4)
-2.0079284
Log P
0.7131174
Molar Refractivity
63.2172
Polarizability
25.1236
Polar Surface Area
24.5
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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