Chemical ID: 4333069

c1ccc2c(c1)ccc3n2c(nn3)c4ccc(cc4)C(F)(F)F
Chemical ID:
4333069
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3n2c(nn3)c4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C17H10F3N3/c18-17(19,20)13-8-5-12(6-9-13)16-22-21-15-10-7-11-3-1-2-4-14(11)23(15)16/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,7,16,18,8,5,14,17,4,9,11,20,21,22,23,13,12,10/E:(5,6)(8,9)(18,19,20)/rA:23nCCCCCCCCCNCNNCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;d9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10F3N3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.96409
Area:449.988
Solvation:-2.2856
Coulombic:-32.4337
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:313.277
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.0
LogP (Chemaxon):4.59

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