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Chemical ID: 7741769
Chemical ID:
7741769
Name [?]:
None
SMILES [?]:
CCOC(=O)CCC(=O)N1CCC2(CC1)CC(=O)c3ccccc3O2
InChi [?]:
InChI=1/C19H23NO5/c1-2-24-18(23)8-7-17(22)20-11-9-19(10-12-20)13-15(21)14-5-3-4-6-16(14)25-19/h3-6H,2,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,20,23,7,6,12,14,11,15,16,19,17,24,8,4,13,10,18,9,5,3,25/E:(9,10)(11,12)/rA:25nCCOCOCCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO5 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.5512 |
Area: | 555.633 |
Solvation: | -4.33963 |
Coulombic: | -48.549 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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