Chemical ID: 4716082

c1cc(ccc1C(C#N)c2ccc(nn2)Cl)Cl
Chemical ID:
4716082
Name [?]:
2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)-acetonitrile
SMILES [?]:
c1cc(ccc1C(C#N)c2ccc(nn2)Cl)Cl
InChi [?]:
InChI=1/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10(7-15)11-5-6-12(14)17-16-11/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,12,8,6,3,7,10,13,17,16,9,15,14/E:(1,2)(3,4)/rA:17cCCCCCCCCNCCCCNNClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s7;s10;d11;s12;d13;d10s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Cl2N3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.13902
Area:448.826
Solvation:-2.08165
Coulombic:-8.53597
Bond Count [?]
All:18
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.11
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.57
LogP (Chemaxon):2.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue