Name: 6-(4-Bromo-phenyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
SMILES:
Brc1ccc(-c2n[nH]c3c2Cc2sccc2-3)cc1Molecular Processing
Molecular formula
C14H9BrN2S
Molecular weight
317.21
Exact mass
315.967
XLogP
4.47
TPSA
28.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
77.84
Supplementary Information
Details werden geladen…
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