Molecule

ID:62801

General Information
Structure
Molecular Formula
C₁₀H₂₀Cl₂N₄O
Molecular Mass
283.198
Exact Mass
282.10141664
Charge
0
InChI
InChI=1S/C10H18N4O.2ClH/c1-15-6-5-14-8-12-13-10(14)9-3-2-4-11-7-9;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
RDMXZFRPTKZYAE-UHFFFAOYSA-N
Canonic Smiles
COCCn1cnnc1C1CCCNC1.Cl.Cl
Isomeric Smiles
c1(n(cnn1)CCOC)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.7310557
LogD (pH = 7.4)
-2.701204
Log P
-0.5464252
Molar Refractivity
59.8875
Polarizability
22.339882
Polar Surface Area
51.97
Rotatable Bonds
4
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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