Chemical ID: 7163818

CCOC(=O)c1cnn2c1nccc2c3ccco3
Chemical ID:
7163818
Name [?]:
ethyl 2-(2-furyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-7-carboxylate
SMILES [?]:
CCOC(=O)c1cnn2c1nccc2c3ccco3
InChi [?]:
InChI=1/C13H11N3O3/c1-2-18-13(17)9-8-15-16-10(5-6-14-12(9)16)11-4-3-7-19-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,13,12,18,7,6,14,15,10,4,11,8,9,5,3,19/rA:19nCCOCOCCNNCNCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;d11;s12;s9d13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O3
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.63412
Area:441.225
Solvation:-4.39651
Coulombic:-34.4905
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.24
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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