Molecule

ID:66991

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₄O₂
Molecular Mass
278.77892
Exact Mass
278.15095368
Charge
0
InChI
InChI=1S/C11H22N4O2.ClH/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13;/h8H,4-7H2,1-3H3,(H4,12,13,14);1H
InChIKey
HYZASXQVPHIDOS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)NC(=N)N)OC(C)(C)C.Cl
Isomeric Smiles
N1(CCC(CC1)NC(=N)N)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.447712
LogD (pH = 7.4)
-2.4457176
Log P
-0.032278366
Molar Refractivity
75.7849
Polarizability
25.200916
Polar Surface Area
91.44
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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