이름: 2-phenyl-5,6,7,8-tetrahydro-4H-thiazolo[5,4-b]azepine
SMILES:
c1ccc(-c2nc3c(s2)NCCCC3)cc1Molecular Processing
Molecular formula
C13H14N2S
Molecular weight
230.34
Exact mass
230.0878
XLogP
3.56
TPSA
24.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.98
Supplementary Information
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