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Chemical ID: 5107896
Chemical ID:
5107896
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc2c3c([nH]c2c1C)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H19NO2/c1-3-23-20(22)14-10-11-16-17-9-8-13-6-4-5-7-15(13)19(17)21-18(16)12(14)2/h4-7,10-11,21H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,19,18,20,17,22,23,7,8,14,21,6,16,9,10,13,11,4,12,5,3/rA:23nCCOCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d9s12;d6s13;s14;s11;s16;d17;s18;d19;d16s20;s21;s10s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.683 |
Area: | 502.865 |
Solvation: | -1.88865 |
Coulombic: | -32.8573 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 305.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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