الاسم: Compound 35
SMILES:
N#CCCCN1C(=O)c2cc3oc(-c4ccc([N+](=O)[O-])cc4)cc3n2C1=SMolecular Processing
Molecular formula
C18H12N4O4S
Molecular weight
380.39
Exact mass
380.0579
XLogP
3.7
TPSA
105.31
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
100.17
Supplementary Information
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