Chemical ID: 7190109

CCn1c2c(c(n1)C)c(cc(n2)c3ccc(c(c3)Cl)Cl)C(F)(F)F
Chemical ID:
7190109
Name [?]:
3-(3,4-dichlorophenyl)-9-ethyl-7-methyl-5-(trifluoromethyl)-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
CCn1c2c(c(n1)C)c(cc(n2)c3ccc(c(c3)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H12Cl2F3N3/c1-3-24-15-14(8(2)23-24)10(16(19,20)21)7-13(22-15)9-4-5-11(17)12(18)6-9/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,14,15,18,10,6,13,9,16,17,11,5,4,21,20,19,22,23,24,12,7,3/E:(19,20,21)/rA:24nCCNCCCNCCCCNCCCCCCClClCFFF/rB:s1;s2;s3;s4;s5;s3d6;s6;d5;s9;d10;d4s11;s11;s13;d14;s15;d16;d13s17;s17;s16;s9;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl2F3N3
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5984
Area:525.906
Solvation:-2.54928
Coulombic:-29.5451
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.187
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.19
LogP (Chemaxon):5.35

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