CC1(C)CC(c2cccc(N)[n+]2[O-])c2cc(C#N)ccc2O1
SMILES: CC1(C)CC(c2cccc(N)[n+]2[O-])c2cc(C#N)ccc2O1

Molecular Processing

Molecular formula
C17H17N3O2
Molecular weight
295.34
Exact mass
295.1321
XLogP
2.47
TPSA
85.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
82.14

Supplementary Information

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