C1CNCCC2=C1C=CC(=C2)[N+](=O)[O-].[N+](=O)(O)[O-]
CAS: 118454-13-0
Nombre: nitric acid;7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES: C1CNCCC2=C1C=CC(=C2)[N+](=O)[O-].[N+](=O)(O)[O-]

Molecular Processing

Molecular formula
C10H13N3O5
Molecular weight
255.23
Exact mass
255.0855
XLogP
0.94
TPSA
118.54
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
62.16

Supplementary Information

InChIKey: VEBVADQUDIIXCF-UHFFFAOYSA-N
Sinónimos
SCHEMBL5216437-Nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine nitrateVEBVADQUDIIXCF-UHFFFAOYSA-N118454-13-07-nitro-2,3,4,5-tetrahydro-1h-benzo[d]azepine nitrate salt7-nitro-2,3,4,5-tetrahydro-1h-benzo[d]azepine nitric acid salt7-Nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine; compound with nitric acid
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