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Chemical ID: 7715007
Chemical ID:
7715007
Name [?]:
None
SMILES [?]:
CC1C=C(N(C=N1)c2ccccc2)C
InChi [?]:
InChI=1/C12H14N2/c1-10-8-11(2)14(9-13-10)12-6-4-3-5-7-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,11,10,12,9,13,3,6,2,4,8,7,5/E:(4,5)(6,7)/rA:14cCCCCNCNCCCCCCC/rB:s1;s2;d3;s4;s5;s2d6;s5;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2 |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.49204 |
Area: | 360.648 |
Solvation: | -1.52416 |
Coulombic: | -11.9288 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.94 |
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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