Chemical ID: 3880023

CCOC(=O)c1cn2ccc(cc2n1)C
Chemical ID:
3880023
Name [?]:
ethyl 4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2ccc(cc2n1)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-15-11(14)9-7-13-5-4-8(2)6-10(13)12-9/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,10,9,12,7,11,6,13,4,14,8,5,3/rA:15nCCOCOCCNCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s8s12;s6d13;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.71785
Area:391.438
Solvation:-2.0681
Coulombic:-31.7264
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:1.72
LogP (Chemaxon):2.1

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Descriptor Annotations

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