名称: Methyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
SMILES:
CCCCN1CCOc2c(C#N)cc(C(=O)OC)cc21Molecular Processing
Molecular formula
C15H18N2O3
Molecular weight
274.32
Exact mass
274.1317
XLogP
2.34
TPSA
62.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.11
Supplementary Information
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