名称: 2 -butyl-7-methoxycarbonyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine
SMILES:
CCCCC1Oc2cc(C(=O)OC)ccc2NC1=OMolecular Processing
Molecular formula
C14H17NO4
Molecular weight
263.29
Exact mass
263.1158
XLogP
2.36
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.35
Supplementary Information
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