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Chemical ID: 7654928
Chemical ID:
7654928
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)NCc2ccncc2
InChi [?]:
InChI=1/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-13(11-18)17-10-12-4-7-16-8-5-12/h4-5,7-8,13,17H,6,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,20,10,17,19,9,14,12,15,11,6,2,18,13,8,7,5/E:(1,2,3)(4,5)(7,8)/rA:20cCCCCOCONCCCCNCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O2 |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.65264 |
Area: | 498.038 |
Solvation: | -2.79832 |
Coulombic: | -42.4238 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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