Molecule

ID:33140

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₄O
Molecular Mass
268.74258
Exact Mass
268.10908886
Charge
0
InChI
InChI=1S/C12H16N4O.ClH/c1-8-2-3-10-11(14-8)15-12(17-10)16-6-4-9(13)5-7-16;/h2-3,9H,4-7,13H2,1H3;1H
InChIKey
GRHPYPCZNZMNHL-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)c1nc2c(o1)ccc(n2)C.Cl
Isomeric Smiles
n1c(oc2c1nc(cc2)C)N1CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4574249
LogD (pH = 7.4)
-1.9231567
Log P
0.5620394
Molar Refractivity
66.0142
Polarizability
25.171602
Polar Surface Area
68.18
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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