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Chemical ID: 7696203
Chemical ID:
7696203
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)COc2c(cccc2C)C
InChi [?]:
InChI=1/C19H21NO4/c1-4-23-19(22)15-10-5-6-11-16(15)20-17(21)12-24-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,8,9,20,21,19,7,10,15,22,18,6,11,13,17,4,12,14,5,3,16/E:(2,3)(8,9)(13,14)/rA:24nCCOCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.92718 |
Area: | 554.92 |
Solvation: | -3.94581 |
Coulombic: | -49.77 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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