Molecule

ID:62877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₄O
Molecular Mass
283.198
Exact Mass
282.10141664
Charge
0
InChI
InChI=1S/C10H18N4O.2ClH/c1-15-7-6-14-8-12-13-10(14)9-4-2-3-5-11-9;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
YUUGOCYGSZYSLH-UHFFFAOYSA-N
Canonic Smiles
COCCn1cnnc1C1CCCCN1.Cl.Cl
Isomeric Smiles
c1(n(cnn1)CCOC)C1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4119298
LogD (pH = 7.4)
-0.7197261
Log P
-0.23513761
Molar Refractivity
59.6315
Polarizability
22.414534
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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