Molecule
ID:121062
General Information
Molecular Formula
C₁₀H₁₂ClN₃O₂
Molecular Mass
241.67418
Exact Mass
241.06180432
Charge
0
InChI
InChI=1S/C10H11N3O2.ClH/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(11)5-6;/h2-5H,11H2,1H3,(H2,12,13,14,15);1H
InChIKey
RJRWLKOOUYHNQR-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(N1)(C)c1cccc(c1)N.Cl
Isomeric Smiles
N1C(=O)C(NC1=O)(c1cc(N)ccc1)C.Cl
Calculated Properties
JChem
Acid pKa
9.829047
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.07505304
LogD (pH = 7.4)
0.08826129
Log P
0.09004887
Molar Refractivity
54.8177
Polarizability
20.552172
Polar Surface Area
84.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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