O=[N+]([O-])c1ccc(OCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
SMILES: O=[N+]([O-])c1ccc(OCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1

Molecular Processing

Molecular formula
C27H30N2O4
Molecular weight
446.55
Exact mass
446.2206
XLogP
5.63
TPSA
64.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
128.48

Supplementary Information

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