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Chemical ID: 7684436
Chemical ID:
7684436
Name [?]:
None
SMILES [?]:
c1cc(ccc1CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4)F
InChi [?]:
InChI=1/C17H12FN3O4/c18-12-4-1-10(2-5-12)8-19-16(22)17-20-15(21-25-17)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,21,7,23,6,16,3,19,20,13,9,11,25,8,12,14,10,24,22,15/E:(1,2)(4,5)/rA:25nCCCCCCCNCOCNCNOCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FN3O4 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.12661 |
Area: | 541.42 |
Solvation: | -4.4089 |
Coulombic: | -57.0139 |
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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