CCC(=O)C1=C(C(=CC(=C1)C2=CN=CC=C2)N)N
CAS: 636581-76-5
الاسم: 1-(2,3-diamino-5-pyridin-3-ylphenyl)propan-1-one
SMILES: CCC(=O)C1=C(C(=CC(=C1)C2=CN=CC=C2)N)N

Molecular Processing

Molecular formula
C14H15N3O
Molecular weight
241.29
Exact mass
241.1215
XLogP
2.51
TPSA
82
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
73.12

Supplementary Information

InChIKey: QFRZIPUWGBAQMZ-UHFFFAOYSA-N
مرادفات
1-(2,3-diamino-5-pyridin-3-yl-phenyl)-propan-1-one636581-76-5SCHEMBL1865889QFRZIPUWGBAQMZ-UHFFFAOYSA-NDB-290540
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