COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCCN=[N+]=[N-])CCC3)cc1
SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCCN=[N+]=[N-])CCC3)cc1

Molecular Processing

Molecular formula
C40H53N5O6
Molecular weight
699.89
Exact mass
699.3996
XLogP
8.44
TPSA
118.46
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
51
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.525
Molar refractivity
198.55

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→