Chemical ID: 6513524

CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
Chemical ID:
6513524
Name [?]:
ethyl 3-amino-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-3,8,10,12-tetraene-4-carboxylate
SMILES [?]:
CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
InChi [?]:
InChI=1/C12H12N2O4/c1-2-17-12(16)9-10(13)18-8-6-4-3-5-7(8)14-11(9)15/h3-6H,2,13H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,14,9,6,7,16,4,18,15,17,5,3,8/rA:18nCCOCOCCOCCCCCCNCON/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6s15;d16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.31768
Area:408.602
Solvation:-2.89736
Coulombic:-64.5454
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.235
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):0.89

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