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Chemical ID: 6835901
Chemical ID:
6835901
Name [?]:
[1,8]naphthyridine-2-carboxylate
SMILES [?]:
c1cc2ccc(nc2nc1)C(=O)[O-]
InChi [?]:
InChI=1/C9H6N2O2/c12-9(13)7-4-3-6-2-1-5-10-8(6)11-7/h1-5H,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,5,10,3,6,8,11,9,7,12,13/E:(12,13)/rA:13nCCCCCCNCNCCOO-/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s6;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H5N2O2- |
All Atoms: | 18 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -37.5867 |
Area: | 326.21 |
Solvation: | -45.7419 |
Coulombic: | -10.7018 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.148 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.31 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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