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Chemical ID: 7681392
Chemical ID:
7681392
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(cc2)O)CC(CO)O)C
InChi [?]:
InChI=1/C15H19NO5/c1-3-21-15(20)14-9(2)16(7-11(19)8-17)13-5-4-10(18)6-12(13)14/h4-6,11,17-19H,3,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,13,14,11,16,18,7,12,17,10,9,6,4,8,19,15,20,5,3/rA:21cCCOCOCCNCCCCCCOCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s8;s16;s17;s18;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO5 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.35285 |
Area: | 499.926 |
Solvation: | -6.1453 |
Coulombic: | -72.8501 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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