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Chemical ID: 7702366
Chemical ID:
7702366
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2)OCC(=O)O
InChi [?]:
InChI=1/C18H13FN2O4S/c19-12-5-7-13(8-6-12)20-18-21-17(24)15(26-18)9-11-3-1-2-4-14(11)25-10-16(22)23/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,7,23,5,17,14,4,8,24,9,12,20,13,11,25,26,10,22,21/E:(5,6)(7,8)(22,23)/rA:26nCCCCCCCCCONCNCCCCCCFSOCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13FN2O4S |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.8608 |
Area: | 572.167 |
Solvation: | -5.44337 |
Coulombic: | -66.1857 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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