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Chemical ID: 7699128
Chemical ID:
7699128
Name [?]:
None
SMILES [?]:
CCC(C)C(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C
InChi [?]:
InChI=1/C16H21N3O2/c1-5-11(2)15(20)17-14-12(3)18(4)19(16(14)21)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,21,20,2,17,16,18,15,19,3,9,14,8,5,12,7,10,11,6,13/E:(7,8)(9,10)/rA:21cCCCCCONCCNNCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;d8;s9;s10;s8s11;d12;s11;s14;d15;s16;d17;d14s18;s10;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.95623 |
Area: | 493.625 |
Solvation: | -3.3844 |
Coulombic: | -38.6354 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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