Nombre: N-[2-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]-4-methylbenzamide
SMILES:
Cc1ccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)cc1Molecular Processing
Molecular formula
C24H17ClN2O4
Molecular weight
432.86
Exact mass
432.0877
XLogP
4.2
TPSA
92.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
118.23
Supplementary Information
InChIKey: LYJYMKFVNDQMAF-UHFFFAOYSA-N
Sinónimos
SCHEMBL2269050CHEMBL1927748LYJYMKFVNDQMAF-UHFFFAOYSA-NNSC-7492321-(4-methylbenzamido)-2-(chloroacetamido)-anthraquinone
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