이름: rac-(cyclohex-2-enyloxy)-(3,4-dichloro-phenyl)-acetic acid
SMILES:
O=C(Nc1nccs1)C(OC1C=CCCC1)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C17H16Cl2N2O2S
Molecular weight
383.3
Exact mass
382.031
XLogP
5.26
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
97.81
Supplementary Information
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