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Chemical ID: 4120766
Chemical ID:
4120766
Name [?]:
2-[1,6]naphthyridin-2-ylbenzoic acid
SMILES [?]:
c1ccc(c(c1)c2ccc3cnccc3n2)C(=O)O
InChi [?]:
InChI=1/C15H10N2O2/c18-15(19)12-4-2-1-3-11(12)14-6-5-10-9-16-8-7-13(10)17-14/h1-9H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,8,14,13,11,10,5,4,15,7,17,12,16,18,19/E:(18,19)/rA:19nCCCCCCCCCCCNCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48537 |
Area: | 415.06 |
Solvation: | -2.89112 |
Coulombic: | -37.983 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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