COC(=O)C1=C(C)OC(N)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1
SMILES: COC(=O)C1=C(C)OC(N)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C25H25N5O6
Molecular weight
491.5
Exact mass
491.1805
XLogP
3.5
TPSA
146.85
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
128.66

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→