Chemical ID: 6146777

c1cc(cc(c1)NCc2cn3cccnc3n2)C(F)(F)F
Chemical ID:
6146777
Name [?]:
N-(1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-ylmethyl)-3-(trifluoromethyl)aniline
SMILES [?]:
c1cc(cc(c1)NCc2cn3cccnc3n2)C(F)(F)F
InChi [?]:
InChI=1/C14H11F3N4/c15-14(16,17)10-3-1-4-11(7-10)19-8-12-9-21-6-2-5-18-13(21)20-12/h1-7,9,19H,8H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,14,12,4,8,10,3,5,9,16,18,19,20,21,15,7,17,11/E:(15,16,17)/rA:21nCCCCCCNCCCNCCCNCNCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s11;d12;s13;d14;s11s15;s9d16;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.18483
Area:458.313
Solvation:-3.273
Coulombic:-47.6324
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.259
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.58
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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