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Chemical ID: 7680602
Chemical ID:
7680602
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C17H12FN3O4/c18-12-3-1-2-10(6-12)8-19-16(22)17-20-15(21-25-17)11-4-5-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,4,22,8,24,3,17,5,20,21,14,10,12,7,9,13,15,11,25,23,16/rA:25nCCCCCCFCNCOCNCNOCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FN3O4 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.17832 |
Area: | 543.094 |
Solvation: | -4.39903 |
Coulombic: | -57.0222 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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