O=C(CCl)c1cc2c(s1)C(=O)NCCC2
名称: 2-chloroacetyl-4,5,6,7-tetrahydro-8H-thieno[2,3-c]azepin-8-one
SMILES: O=C(CCl)c1cc2c(s1)C(=O)NCCC2

Molecular Processing

Molecular formula
C10H10ClNO2S
Molecular weight
243.71
Exact mass
243.0121
XLogP
1.85
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
60.02

Supplementary Information

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