Name: 6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
SMILES:
CC1(C)CCc2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C12H13NO
Molecular weight
187.24
Exact mass
187.0997
XLogP
2.66
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.19
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→