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Chemical ID: 7714119
Chemical ID:
7714119
Name [?]:
None
SMILES [?]:
Cc1nccn1Cc2ccc(cc2)C#N
InChi [?]:
InChI=1/C12H11N3/c1-10-14-6-7-15(10)9-12-4-2-11(8-13)3-5-12/h2-7H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,4,5,14,7,2,11,8,15,3,6/E:(2,3)(4,5)/rA:15nCCNCCNCCCCCCCCN/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s11;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N3 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.3331 |
Area: | 383.899 |
Solvation: | -2.26439 |
Coulombic: | -13.9959 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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