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Chemical ID: 4936807
Chemical ID:
4936807
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccn3c2nnc3NS(=O)(=O)c4ccc(cc4S)F
InChi [?]:
InChI=1/C16H11FN4O2S2/c17-11-5-6-14(13(24)9-11)25(22,23)20-16-19-18-15-12-4-2-1-3-10(12)7-8-21(15)16/h1-9,24H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,19,7,8,22,5,21,4,23,18,10,13,25,11,12,14,9,16,17,24,15/E:(22,23)/CRV:25.6/rA:25nCCCCCCCCNCNNCNSOOCCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s11;s9d12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11FN4O2S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41819 |
Area: | 515.15 |
Solvation: | -3.46056 |
Coulombic: | -30.1685 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 374.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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