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Chemical ID: 7714532
Chemical ID:
7714532
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)Nc2c(cccn2)C#N
InChi [?]:
InChI=1/C12H8ClN3/c13-10-4-1-5-11(7-10)16-12-9(8-14)3-2-6-15-12/h1-7H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,11,6,2,13,4,15,10,5,3,9,7,16,14,8/rA:16nCCCCCCClNCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;d9s13;s10;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8ClN3 |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.57686 |
Area: | 412.103 |
Solvation: | -1.72572 |
Coulombic: | -21.1823 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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