Chemical ID: 7968033

CCOC(=O)c1cnc2ccncc2c1O
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

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Experimental Annotations

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Descriptor Annotations

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