이름: N-(3-chlorophenyl)-4-(1-oxidopyridin-1-ium-4-yl)pyrimidin-2-amine
SMILES:
C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC=[N+](C=C3)[O-]Molecular Processing
Molecular formula
C15H11ClN4O
Molecular weight
298.73
Exact mass
298.0621
XLogP
3.17
TPSA
64.75
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.16
Supplementary Information
InChIKey: MPILIZYUJQCDKP-UHFFFAOYSA-N
동의어
SCHEMBL5735831MPILIZYUJQCDKP-UHFFFAOYSA-NN-(3-chloro-phenyl)-4-(N-oxido4-pyridyl)-2-pyrimidineamineN-(3-chloro-phenyl)-4-(N-oxido-4-pyridyl)-2-pyrimidineamine
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