Name: 1-acetyl-6-chloro-3-[1-hydroxy-1-(3,4-methylenedioxyphenyl)-methylene]-2-indolinone
SMILES:
CC(=O)N1C(=O)C(=C(O)c2ccc3c(c2)OCO3)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C18H12ClNO5
Molecular weight
357.75
Exact mass
357.0404
XLogP
3.39
TPSA
76.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
91.63
Supplementary Information
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