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Chemical ID: 5670863
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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