Name: (S)-Dimethyl 2-((3,7-dichloro-4-(hydroxymethyl)-1H-indazol-5-yl)methyl)succinate
SMILES:
COC(=O)C[C@H](Cc1cc(Cl)c2[nH]nc(Cl)c2c1CO)C(=O)OCMolecular Processing
Molecular formula
C15H16Cl2N2O5
Molecular weight
375.21
Exact mass
374.0436
XLogP
2.26
TPSA
101.51
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
87.88
Supplementary Information
Details werden geladen…
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