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Chemical ID: 4942784
Chemical ID:
4942784
Name [?]:
None
SMILES [?]:
CC1(C=Cc2c(cc(c3c2n(c4ccccc4c3=O)C)OC)O1)C
InChi [?]:
InChI=1/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,22,15,14,16,13,4,3,7,17,5,12,6,8,9,10,18,2,11,19,21,23/E:(1,2)/rA:24nCCCCCCCCCCNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s11;s8;s21;s2s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76934 |
Area: | 482.05 |
Solvation: | -4.28191 |
Coulombic: | -30.3493 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 321.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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