Name: 4,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one
SMILES:
CCC1(CC)OC(=O)Nc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C12H14N2O4
Molecular weight
250.25
Exact mass
250.0954
XLogP
3.17
TPSA
81.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.417
Molar refractivity
65.46
Supplementary Information
Details werden geladen…
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