CCC1(CC)OC(=O)N(C)c2ccc([N+](=O)[O-])cc21
Name: 4,4-diethyl-1-methyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one
SMILES: CCC1(CC)OC(=O)N(C)c2ccc([N+](=O)[O-])cc21

Molecular Processing

Molecular formula
C13H16N2O4
Molecular weight
264.28
Exact mass
264.111
XLogP
3.2
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.24

Supplementary Information

Details werden geladen…

An 6 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→