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Chemical ID: 7968033
Chemical ID:
7968033
Name [?]:
ethyl 4-hydroxy[1,6]naphthyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccncc2c1O
InChi [?]:
InChI=1/C11H10N2O3/c1-2-16-11(15)8-6-13-9-3-4-12-5-7(9)10(8)14/h3-6H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,13,7,14,6,9,15,4,12,8,16,5,3/rA:16nCCOCOCCNCCCNCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;-1.3601,-.5067,.0123;-1.5884,-1.835,.0074;-.6541,-2.6121,-.0057;-2.9695,-2.3445,.0178;-4.0541,-1.4519,.0272;-5.2932,-1.8758,.0366;-5.5912,-3.1787,.0378;-6.9224,-3.6323,.0474;-7.1593,-4.9741,.0477;-6.1737,-5.86,.0398;-4.9075,-5.5084,.0305;-4.5598,-4.1515,.0289;-3.214,-3.7244,.0127;-2.1973,-4.6152,-.002;
Chemical Details
Atom Count
Formula: | C11H10N2O |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55491 |
Area: | 389.423 |
Solvation: | -3.18066 |
Coulombic: | -43.8025 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.209 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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