3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoic acid
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3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoic acid
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CAS No:
851797-58-5
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Formula:
C16H13N3O2S
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Chemical Name:
3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoic acid
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Synonyms:
Oprea1_764436;ZINC1925534;AKOS016507098;MCULE-4545310990;SR-01000064520;SR-01000064520-1;Z64563088;3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}amino)benzoic acid;851797-58-5
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CAS No:
3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoic acid Basic Attributes
311.4 g/mol
311.07284784 g/mol
Computed Properties
Molecular Weight:311.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:311.07284784
Monoisotopic Mass:311.07284784
Topological Polar Surface Area:103
Heavy Atom Count:22
Complexity:436
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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