CC(C)(C)NC(=S)NC(CO)c1cccc([N+](=O)[O-])c1
名称: N-(tert-butyl)-N′-[2-hydroxy-1-(3-nitrophenyl)ethyl]thiourea
SMILES: CC(C)(C)NC(=S)NC(CO)c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C13H19N3O3S
Molecular weight
297.38
Exact mass
297.1147
XLogP
1.89
TPSA
87.43
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
81.55

Supplementary Information

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