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Chemical ID: 4947427
Chemical ID:
4947427
Name [?]:
2-(3-chlorophenyl)-6-methyl-1H-[1,8]naphthyridin-4-one
SMILES [?]:
Cc1cc2c(=O)cc([nH]c2nc1)c3cccc(c3)Cl
InChi [?]:
InChI=1/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,3,18,7,12,2,13,17,4,8,5,10,19,11,9,6/rA:19nCCCCCOCCNCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;s5;d7;s8;s4s9;d10;d2s11;s8;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1165 |
Area: | 450.318 |
Solvation: | -2.14145 |
Coulombic: | -26.0906 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 270.713 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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