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Chemical ID: 7654894
Chemical ID:
7654894
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NC1CN(CC1C(=O)O)Cc2ccccc2
InChi [?]:
InChI=1/C17H24N2O4/c1-17(2,3)23-16(22)18-14-11-19(10-13(14)15(20)21)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,19,23,17,12,10,18,13,9,14,6,2,8,11,15,16,7,5/E:(1,2,3)(5,6)(7,8)(20,21)/rA:23cCCCCOCONCCNCCCOOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9s12;s13;d14;s14;s11;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2787 |
Area: | 540.383 |
Solvation: | -3.23092 |
Coulombic: | -65.9873 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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