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Chemical ID: 7730478
Chemical ID:
7730478
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3cn4c(n3)SCC4
InChi [?]:
InChI=1/C18H14FN3OS/c19-14-6-4-12(5-7-14)17(23)20-15-3-1-2-13(10-15)16-11-22-8-9-24-18(22)21-16/h1-7,10-11H,8-9H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,15,12,14,24,23,4,18,10,3,13,5,17,8,20,16,7,21,19,9,22/E:(4,5)(6,7)/rA:24nCCCCCCNCOCCCCCCFCCNCNSCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;d17;s18;s19;s17d20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN3OS |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.27546 |
Area: | 531.305 |
Solvation: | -4.00718 |
Coulombic: | -37.7992 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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