O=C(CCCCCl)c1cccc2cc3c(C(=O)CCCCCl)cccc3cc12
Name: 1,5-bis(5-chlorovaleryl)anthracene
SMILES: O=C(CCCCCl)c1cccc2cc3c(C(=O)CCCCCl)cccc3cc12

Molecular Processing

Molecular formula
C24H24Cl2O2
Molecular weight
415.36
Exact mass
414.1153
XLogP
7.18
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
119.26

Supplementary Information

Details werden geladen…

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