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Chemical ID: 7655362
Chemical ID:
7655362
Name [?]:
None
SMILES [?]:
C#Cc1ccc(cc1)N2CCCCC2
InChi [?]:
InChI=1/C13H15N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h1,6-9H,3-5,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,4,8,5,7,10,14,3,6,9/E:(4,5)(6,7)(8,9)(10,11)/rA:14nCCCCCCCCNCCCCC/rB:t1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.89002 |
Area: | 370.904 |
Solvation: | -1.38259 |
Coulombic: | -9.61954 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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