CC1(C)CC(N=[N+]=[N-])c2cc(C#N)ccc2O1
Name: 4-azido-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
SMILES: CC1(C)CC(N=[N+]=[N-])c2cc(C#N)ccc2O1

Molecular Processing

Molecular formula
C12H12N4O
Molecular weight
228.26
Exact mass
228.1011
XLogP
3.47
TPSA
81.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.37

Supplementary Information

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