Chemical ID: 7685518

Cc1c(c(c(nc1c2ccccc2)Cl)C#N)C#N
Chemical ID:
7685518
Name [?]:
None
SMILES [?]:
Cc1c(c(c(nc1c2ccccc2)Cl)C#N)C#N
InChi [?]:
InChI=1/C14H8ClN3/c1-9-11(7-16)12(8-17)14(15)18-13(9)10-5-3-2-4-6-10/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,17,15,2,8,3,4,7,5,14,18,16,6/E:(3,4)(5,6)/rA:18nCCCCCNCCCCCCCClCNCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s5;s4;t15;s3;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClN3
All Atoms:26
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.85643
Area:434.995
Solvation:-2.01844
Coulombic:-12.911
Bond Count [?]
All:19
Single:11
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.18
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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