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Chemical ID: 5227138
Chemical ID:
5227138
Name [?]:
None
SMILES [?]:
C1CCC2(CC1)N3C(=NC(=O)O2)OC4(CCCCC4)OC3=O
InChi [?]:
InChI=1/C15H20N2O5/c18-12-16-11-17(14(21-12)7-3-1-4-8-14)13(19)22-15(20-11)9-5-2-6-10-15/h1-10H2
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,18,3,5,15,19,8,10,21,4,14,9,7,11,22,13,12,20/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCNCNCOOOCCCCCCOCO/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s9;d10;s4s10;s8;s13;s14;s15;s16;s17;s14s18;s14;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39496 |
Area: | 444.562 |
Solvation: | -1.71908 |
Coulombic: | -68.6119 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 308.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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