Chemical ID: 4705388

CCOC(=O)c1cn2cc(ccc2n1)Cl
Chemical ID:
4705388
Name [?]:
ethyl 3-chloro-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2cc(ccc2n1)Cl
InChi [?]:
InChI=1/C10H9ClN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,9,7,10,6,13,4,15,14,8,5,3/rA:15nCCOCOCCNCCCCCNCl/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s8s12;s6d13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9ClN2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.11105
Area:402.503
Solvation:-1.95153
Coulombic:-32.2252
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:224.643
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):2.15

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Descriptor Annotations

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