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Chemical ID: 7616257
Chemical ID:
7616257
Name [?]:
None
SMILES [?]:
CC(CN1c2ccccc2Nc3c(cccn3)C1=O)N(C)C
InChi [?]:
InChI=1/C17H20N4O/c1-12(20(2)3)11-21-15-9-5-4-8-14(15)19-16-13(17(21)22)7-6-10-18-16/h4-10,12H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,22,8,7,15,14,9,6,16,3,2,13,10,5,12,18,17,11,20,4,19/E:(2,3)/rA:22cCCCNCCCCCCNCCCCCNCONCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s4s13;d18;s2;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N4O |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.2929 |
Area: | 466.471 |
Solvation: | -2.36888 |
Coulombic: | -39.4916 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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