Molecule

ID:48107

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃Cl₂N₃O
Molecular Mass
284.22582
Exact Mass
283.12181773
Charge
0
InChI
InChI=1S/C11H21N3O.2ClH/c15-11-9-14(7-5-13-11)6-3-10-2-1-4-12-8-10;;/h10,12H,1-9H2,(H,13,15);2*1H
InChIKey
QJUSVALYEWOEDO-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
C1(=O)NCCN(C1)CCC1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.7000065
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.390573
LogD (pH = 7.4)
-3.5778828
Log P
-0.53771114
Molar Refractivity
60.398
Polarizability
23.793373
Polar Surface Area
44.37
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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