Name: methyl 4-[(7-nitro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
SMILES:
COC(=O)c1ccc(CN2CCOc3cc([N+](=O)[O-])ccc32)cc1Molecular Processing
Molecular formula
C17H16N2O5
Molecular weight
328.32
Exact mass
328.1059
XLogP
2.78
TPSA
81.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
87.42
Supplementary Information
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Involved in 4 reactions→