Chemical ID: 7151811

c1ccc(cc1)C2CC(n3c(c(cn3)C#N)N2)C(F)(F)F
Chemical ID:
7151811
Name [?]:
4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-7-carbonitrile
SMILES [?]:
c1ccc(cc1)C2CC(n3c(c(cn3)C#N)N2)C(F)(F)F
InChi [?]:
InChI=1/C14H11F3N4/c15-14(16,17)12-6-11(9-4-2-1-3-5-9)20-13-10(7-18)8-19-21(12)13/h1-5,8,11-12,20H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,15,13,4,12,7,9,11,18,19,20,21,16,14,17,10/E:(2,3)(4,5)(15,16,17)/rA:21cCCCCCCCCCNCCCNCNNCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s10d13;s12;t15;s7s11;s9;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N4
All Atoms:32
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.73464
Area:445.969
Solvation:-3.41458
Coulombic:-38.0607
Bond Count [?]
All:23
Single:17
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.259
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.8
LogP (Chemaxon):2.42

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