Chemical ID: 4120766

c1ccc(c(c1)c2ccc3cnccc3n2)C(=O)O
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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