COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)C#N
Название: 4-(1,3-benzoxazol-2-yl)-2-methoxybenzonitrile
SMILES: COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)C#N

Molecular Processing

Molecular formula
C15H10N2O2
Molecular weight
250.26
Exact mass
250.0742
XLogP
3.38
TPSA
59.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
70.71

Supplementary Information

InChIKey: NJLAMAKQEJLCLH-UHFFFAOYSA-N
Синонимы
SCHEMBL5832486NJLAMAKQEJLCLH-UHFFFAOYSA-N4-(1,3-benzoxazol-2-yl)-2-methoxybenzonitrile
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