Nombre: 4-(3-aminophenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILES:
C1CCC2=C(C1)C(=NNC2=O)C3=CC(=CC=C3)NMolecular Processing
Molecular formula
C14H15N3O
Molecular weight
241.29
Exact mass
241.1215
XLogP
1.9
TPSA
71.77
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
71.35
Supplementary Information
InChIKey: JUQWWDXENHPCQT-UHFFFAOYSA-N
Sinónimos
SCHEMBL1249567JUQWWDXENHPCQT-UHFFFAOYSA-N4-(3-aminophenyl)-5,6,7,8-tetrahydrophthalazin-1(2H)-one
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