Name: (2-fluoro-4-chloro-5-cyclopentyloxyphenyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one
SMILES:
O=c1[nH]n(-c2cc(OC3CCCC3)c(Cl)cc2F)c2c1CCCC2Molecular Processing
Molecular formula
C18H20ClFN2O2
Molecular weight
350.82
Exact mass
350.1197
XLogP
4.16
TPSA
47.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
90.88
Supplementary Information
Details werden geladen…
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