C1CCN(C1)CCN2CCOC3=C2C=CC(=C3)[N+](=O)[O-]
Name: 7-nitro-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazine
SMILES: C1CCN(C1)CCN2CCOC3=C2C=CC(=C3)[N+](=O)[O-]

Molecular Processing

Molecular formula
C14H19N3O3
Molecular weight
277.32
Exact mass
277.1426
XLogP
1.89
TPSA
58.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
76.48

Supplementary Information

InChIKey: GGTRNNKVEUEKIN-UHFFFAOYSA-N
Synonyme
SCHEMBL499372GGTRNNKVEUEKIN-UHFFFAOYSA-N7-Nitro-4-(2-(pyrrolidin-1-yl)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine
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