CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2.c1cscn1
名称: thiazole
SMILES: CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccccc3)s1)[C@@H](c1ccc(Cl)cc1)C2.c1cscn1

Molecular Processing

Molecular formula
C26H26ClN3S2
Molecular weight
480.1
Exact mass
479.1257
XLogP
7.34
TPSA
29.02
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
135.79

Supplementary Information

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