ChemDB: Chemical Search
Download
Chemical ID: 7190109
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|