CC1=NC2=C(C=CC(=C2O1)C#N)N
名称: 4-amino-2-methyl-1,3-benzoxazole-7-carbonitrile
SMILES: CC1=NC2=C(C=CC(=C2O1)C#N)N

Molecular Processing

Molecular formula
C9H7N3O
Molecular weight
173.17
Exact mass
173.0589
XLogP
1.59
TPSA
75.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
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
0.111
Molar refractivity
47.87

Supplementary Information

InChIKey: PUKXPAQDQOLYEW-UHFFFAOYSA-N
同義語
SCHEMBL2966955PUKXPAQDQOLYEW-UHFFFAOYSA-N4-Amino-7-cyano-2-methylbenzoxazole4-Amino-2-methylbenzoxazole-7-carbonitrile
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