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Chemical ID: 7668475
Chemical ID:
7668475
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(s2)N3CCN(CC3)c4nc5c(cccc5s4)F
InChi [?]:
InChI=1/C18H15FN4S2/c19-12-4-3-7-15-16(12)21-18(25-15)23-10-8-22(9-11-23)17-20-13-5-1-2-6-14(13)24-17/h1-7H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,21,20,6,3,22,11,15,12,14,19,5,4,23,18,8,16,25,7,17,10,13,9,24/E:(8,9)(10,11)/rA:25nCCCCCCNCSNCCNCCCNCCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN4S2 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5398 |
Area: | 544.36 |
Solvation: | -3.06916 |
Coulombic: | -32.1299 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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