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Chemical ID: 7672933
Chemical ID:
7672933
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C13H15N3/c1-12-4-6-13(7-5-12)16(10-2-8-14)11-3-9-15/h4-7H,2-3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,3,7,4,6,11,15,9,13,2,5,12,16,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)/rA:16nCCCCCCCNCCCNCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;t11;s8;s13;s14;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3 |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.66713 |
Area: | 442.575 |
Solvation: | -2.39726 |
Coulombic: | -11.6704 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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