Chemical ID: 7161631

c1cc(oc1)c2ccnc3n2ncc3
Chemical ID:
7161631
Name [?]:
5-(2-furyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1cc(oc1)c2ccnc3n2ncc3
InChi [?]:
InChI=1/C10H7N3O/c1-2-9(14-7-1)8-3-5-11-10-4-6-12-13(8)10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,7,14,8,13,5,6,3,10,9,12,11,4/rA:14nCCCOCCCCNCNNCC/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s9;s6s10;s11;d12;d10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3O
All Atoms:21
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.64817
Area:338.935
Solvation:-3.82521
Coulombic:-15.0126
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:185.182
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.96
LogP (Chemaxon):1.32

Name Annotations

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Descriptor Annotations

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