Nombre: [1,4]diazepine-1-carboxylic acid tert-butylester
SMILES:
CC(C)(C)OC(=O)N1C=CC=NC=C1Molecular Processing
Molecular formula
C10H14N2O2
Molecular weight
194.23
Exact mass
194.1055
XLogP
2.29
TPSA
41.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
54.85
Supplementary Information
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