Molecule

ID:24099

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O
Molecular Mass
241.71724
Exact Mass
241.09818983
Charge
0
InChI
InChI=1S/C11H15N3O.ClH/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15;/h5-7H,3-4,12H2,1-2H3;1H
InChIKey
YLXUIVOFLBGAEX-UHFFFAOYSA-N
Canonic Smiles
CCn1c(=O)n(c2c1cc(N)cc2)CC.Cl
Isomeric Smiles
c1(=O)n(c2c(n1CC)ccc(c2)N)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1162827
LogD (pH = 7.4)
1.1200498
Log P
1.1200981
Molar Refractivity
60.4242
Polarizability
22.263573
Polar Surface Area
49.57
Rotatable Bonds
2
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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