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Chemical ID: 7676219
Chemical ID:
7676219
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C(C(=O)N=C(N2)N3CCOCC3)C#N
InChi [?]:
InChI=1/C15H16N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5,12-13H,6-9H2,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,20,4,8,7,9,12,21,13,11,14,10,17/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCCCONCNNCCOCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s7s12;s12;s14;s15;s16;s17;s14s18;s8;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N4O2 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.50401 |
Area: | 472.376 |
Solvation: | -4.30538 |
Coulombic: | -44.663 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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