Chemical ID: 5111645

CC(=CCOc1cc2c(c(c1OC)O)c(=O)c3ccccc3n2C)C
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

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Descriptor Annotations

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