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Chemical ID: 6046544
Chemical ID:
6046544
Name [?]:
1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
c1c2c(cc(c1F)N3CCN(CC3)C=O)n(cc(c2=O)C(=O)O)C4CC4
InChi [?]:
InChI=1/C18H18FN3O4/c19-14-7-12-15(8-16(14)21-5-3-20(10-23)4-6-21)22(11-1-2-11)9-13(17(12)24)18(25)26/h7-11H,1-6H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:25,26,10,12,9,13,1,4,17,14,24,2,18,6,3,5,19,21,7,11,8,16,15,20,22,23/E:(1,2)(3,4)(5,6)(25,26)/rA:26nCCCCCCFNCCNCCCONCCCOCOOCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s8s12;s11;d14;s3;s16;d17;s2s18;d19;s18;d21;s21;s16;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18FN3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12745 |
Area: | 542.389 |
Solvation: | -6.43227 |
Coulombic: | -63.5846 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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