이름: N,N-diethyl-4-(5-nitrothiazol-2-yl)aniline
SMILES:
CCN(CC)c1ccc(-c2ncc([N+](=O)[O-])s2)cc1Molecular Processing
Molecular formula
C13H15N3O2S
Molecular weight
277.35
Exact mass
277.0885
XLogP
3.56
TPSA
59.27
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
77.77
Supplementary Information
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