Chemical ID: 6539303

c1cc2c(cc1c3cnc4n3CCC4)OCCO2
Chemical ID:
6539303
Name [?]:
6-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)-5,8-diazabicyclo[3.3.0]octa-6,8-diene
SMILES [?]:
c1cc2c(cc1c3cnc4n3CCC4)OCCO2
InChi [?]:
InChI=1/C14H14N2O2/c1-2-14-15-9-11(16(14)5-1)10-3-4-12-13(8-10)18-7-6-17-12/h3-4,8-9H,1-2,5-7H2
InChi Info:
AuxInfo=1/0/N:13,14,1,2,12,17,16,5,8,6,7,3,4,10,9,11,18,15/rA:18nCCCCCCCCNCNCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;s12;s10s13;s4;s15;s16;s3s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.832
Area:406.686
Solvation:-3.33516
Coulombic:-26.5354
Bond Count [?]
All:21
Single:16
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.273
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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