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Chemical ID: 5111645
Chemical ID:
5111645
Name [?]:
1-hydroxy-2-methoxy-10-methyl-3-(3-methylbut-2-enoxy)acridin-9-one
SMILES [?]:
CC(=CCOc1cc2c(c(c1OC)O)c(=O)c3ccccc3n2C)C
InChi [?]:
InChI=1/C20H21NO4/c1-12(2)9-10-25-16-11-15-17(19(23)20(16)24-4)18(22)13-7-5-6-8-14(13)21(15)3/h5-9,11,23H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,24,13,19,20,18,21,3,4,7,2,17,22,8,6,9,15,10,11,23,16,14,12,5/E:(1,2)/rA:25nCCCCOCCCCCCOCOCOCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s10;s9;d15;s15;s17;d18;s19;d20;d17s21;s8s22;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38864 |
Area: | 533.392 |
Solvation: | -5.94617 |
Coulombic: | -45.7593 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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