Name: 2-cyclopentyl-2-methyl-5-mercapto-6,7-dichloro-1-indanone
SMILES:
CC1(C2CCCC2)Cc2cc(S)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C15H16Cl2OS
Molecular weight
315.27
Exact mass
314.0299
XLogP
5.22
TPSA
17.07
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.81
Supplementary Information
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