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Chemical ID: 4091086
Chemical ID:
4091086
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2CN(CO3)c4cccc(c4)C(=O)OC
InChi [?]:
InChI=1/C20H17NO5/c1-12-8-18(22)26-19-15(12)6-7-17-16(19)10-21(11-25-17)14-5-3-4-13(9-14)20(23)24-2/h3-9H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,19,20,18,9,10,3,22,13,15,2,21,17,8,12,11,4,7,23,14,5,24,25,16,6/rA:26cCCCCOOCCCCCCCNCOCCCCCCCOOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.94322 |
Area: | 543.116 |
Solvation: | -4.63469 |
Coulombic: | -52.4841 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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