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Chemical ID: 4726407
Chemical ID:
4726407
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2c(n3c4c(sc3n2)CCCC4)CO)F
InChi [?]:
InChI=1/C16H15FN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h5-8,20H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:17,16,18,15,1,5,2,4,19,6,3,10,8,11,7,13,21,14,9,20,12/E:(5,6)(7,8)/rA:21nCCCCCCCCNCCSCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;s9s12;s7d13;s11;s15;s16;s10s17;s8;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15FN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08514 |
Area: | 456.598 |
Solvation: | -3.32981 |
Coulombic: | -33.5081 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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