COCCOCOC1=C(C=CC(=C1)N)C#N
Name: 4-amino-2-(2-methoxyethoxymethoxy)benzonitrile
SMILES: COCCOCOC1=C(C=CC(=C1)N)C#N

Molecular Processing

Molecular formula
C11H14N2O3
Molecular weight
222.24
Exact mass
222.1004
XLogP
1.14
TPSA
77.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.89

Supplementary Information

InChIKey: DKXSWAFWIVJUJG-UHFFFAOYSA-N
Synonyme
SCHEMBL3297185DKXSWAFWIVJUJG-UHFFFAOYSA-N4-Amino-2-(2-methoxy-ethoxymethoxy)-benzonitrile
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