Chemical ID: 6046544

c1c2c(cc(c1F)N3CCN(CC3)C=O)n(cc(c2=O)C(=O)O)C4CC4
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

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