Chemical ID: 4183780

CCOC(=O)c1c(nc2n1cccc2)C
Chemical ID:
4183780
Name [?]:
ethyl 8-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carboxylate
SMILES [?]:
CCOC(=O)c1c(nc2n1cccc2)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-15-11(14)10-8(2)12-9-6-4-5-7-13(9)10/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,13,12,14,11,7,9,6,4,8,10,5,3/rA:15nCCOCOCCNCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.73972
Area:372.737
Solvation:-1.5787
Coulombic:-32.1903
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.225
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.6
LogP (Chemaxon):1.17

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Descriptor Annotations

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