이름: 3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)prop-2-enoic acid
SMILES:
C1=CC2=NC=C3N2C(=C1)SC(=C3)C=CC(=O)OMolecular Processing
Molecular formula
C12H8N2O2S
Molecular weight
244.27
Exact mass
244.0306
XLogP
2.42
TPSA
54.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
65.8
Supplementary Information
InChIKey: BBHZHUACUGMAJX-UHFFFAOYSA-N
동의어
SCHEMBL7983807BBHZHUACUGMAJX-UHFFFAOYSA-N3-(5-thia-1,8b-diazaacenaphthylen-4-yl)acrylic acid
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