Chemical ID: 4729209

Cc1cc(nc2c1c3ccccc3cc2)Cl
Chemical ID:
4729209
Name [?]:
None
SMILES [?]:
Cc1cc(nc2c1c3ccccc3cc2)Cl
InChi [?]:
InChI=1/C14H10ClN/c1-9-8-13(15)16-12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,14,15,3,2,13,8,6,4,7,16,5/rA:16nCCCCNCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s13;s6d14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClN
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.52088
Area:383.696
Solvation:-1.07152
Coulombic:-8.63834
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:227.689
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.54
LogP (Chemaxon):4.49

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