70476380 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 19 16 15 8 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 3 5 6 7 13 23 8 14 19 20 21 22 9 10 11 15 12 16 13 17 13 18 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 5.672 2.769 2.269 1.403 1.403 3.135 1.769 1.403 0.5369 2.269 0.5369 2.269 1.403 0.866 0 2.8059 0 2.8059 3.135 3.672 2.079 1.149 0.866 2.8565 3.944 4.81 0.31 4.31 5.31 5.676 3.31 2.81 2.81 1.81 1.81 1.31 4.62 3.12 3.12 1.5 1.5 5.93 5 6.213 5.676 0 8 8 8 8 8 8 8 8 9 10 11 12 9 10 11 12 13 13 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 187 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0632002404000000000000000000000000000000000300000000000000000010000001E0010880000080C81900030C680400200800024424000820000202200088800066C8808262282919380700064D01108D807B040000000400000000000000080000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C6H10N3OPS.K/c7-11(8,12)9-5-1-3-6(10)4-2-5;/h1-4,10H,(H5,7,8,9,12); InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XAGZCHDBGSFQNO-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.99192661 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C6H10KN3OPS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 242.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NP(=S)(N)N)O.[K] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NP(=S)(N)N)O.[K] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 116 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.99192661 13 0 0 0 0 0 0 0 2 -1