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Chemical ID: 7685518
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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