Chemical ID: 4507395

CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCOCC3)C(=O)O
Chemical ID:
4507395
Name [?]:
1-ethyl-6-fluoro-7-morpholino-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCOCC3)C(=O)O
InChi [?]:
InChI=1/C16H17FN2O4/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19/h7-9H,2-6H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,16,20,17,19,13,10,4,8,5,12,9,11,6,21,14,3,15,7,22,23,18/E:(3,4)(5,6)(21,22)/rA:23nCCNCCCOCCCCCCFNCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s12;s11;s15;s16;s17;s18;s15s19;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17FN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.20795
Area:483.535
Solvation:-5.88043
Coulombic:-57.7687
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.316
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):2.16

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Descriptor Annotations

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