Molecule

ID:37824

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₄O
Molecular Mass
270.75846
Exact Mass
270.12473893
Charge
0
InChI
InChI=1S/C12H18N4O.ClH/c1-15-10-4-5-13-8-9(10)11(14-15)12(17)16-6-2-3-7-16;/h13H,2-8H2,1H3;1H
InChIKey
LVWQGSOLIOKYSE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nn(c2c1CNCC2)C)N1CCCC1.Cl
Isomeric Smiles
C1CNCc2c1n(nc2C(=O)N1CCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9156127
LogD (pH = 7.4)
-1.2050507
Log P
-0.21971692
Molar Refractivity
77.5477
Polarizability
24.633524
Polar Surface Area
50.16
Rotatable Bonds
1
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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