Chemical ID: 7151388

c1cc(oc1)C2CC(n3c(ccn3)N2)C(F)(F)F
Chemical ID:
7151388
Name [?]:
4-(2-furyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene
SMILES [?]:
c1cc(oc1)C2CC(n3c(ccn3)N2)C(F)(F)F
InChi [?]:
InChI=1/C11H10F3N3O/c12-11(13,14)9-6-7(8-2-1-5-18-8)16-10-3-4-15-17(9)10/h1-5,7,9,16H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,5,7,6,3,8,10,15,16,17,18,13,14,9,4/E:(12,13,14)/rA:18cCCCOCCCCNCCCNNCFFF/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;s9d12;s6s10;s8;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3N3O
All Atoms:28
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:5.16893
Area:376.44
Solvation:-4.24207
Coulombic:-39.2825
Bond Count [?]
All:20
Single:16
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.212
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.86
LogP (Chemaxon):1.55

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