Chemical ID: 5670863

CCn1cc(c(=O)c2c1nc(cc2)C)C(=O)OCc3c(cccc3Cl)F
Chemical ID:
5670863
Name [?]:
(2-chloro-6-fluoro-phenyl)methyl 1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylate
SMILES [?]:
CCn1cc(c(=O)c2c1nc(cc2)C)C(=O)OCc3c(cccc3Cl)F
InChi [?]:
InChI=1/C19H16ClFN2O3/c1-3-23-9-13(17(24)12-8-7-11(2)22-18(12)23)19(25)26-10-14-15(20)5-4-6-16(14)21/h4-9H,3,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,22,23,21,12,13,4,18,11,8,5,19,24,20,6,9,15,25,26,10,3,7,16,17/rA:26nCCNCCCOCCNCCCCCOOCCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s11;s5;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClFN2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2994
Area:572.159
Solvation:-4.00454
Coulombic:-43.0549
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.793
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):3.85

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