Chemical ID: 5567111

CC(=Nc1ccc2c(c1)C(=O)c3ccccc3C2=O)c4c(c5ccccc5n(c4=O)c6ccccc6)O
Chemical ID:
5567111
Name [?]:
2-[1-(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)ethylideneamino]anthracene-9,10-dione
SMILES [?]:
CC(=Nc1ccc2c(c1)C(=O)c3ccccc3C2=O)c4c(c5ccccc5n(c4=O)c6ccccc6)O
InChi [?]:
InChI=1/C31H20N2O4/c1-18(32-19-15-16-23-25(17-19)29(35)22-12-6-5-11-21(22)28(23)34)27-30(36)24-13-7-8-14-26(24)33(31(27)37)20-9-3-2-4-10-20/h2-17,36H,1H3
InChi Info:
AuxInfo=1/0/N:1,34,33,35,15,14,24,25,32,36,16,13,23,26,5,6,9,2,4,31,17,12,7,22,8,27,20,18,10,21,29,3,28,19,11,37,30/E:(3,4)(9,10)/rA:37nCCNCCCCCCCOCCCCCCCOCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;d13;s14;d15;d12s16;s7s17;d18;s2;d20;s21;s22;d23;s24;d25;d22s26;s27;s20s28;d29;s28;s31;d32;s33;d34;d31s35;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H20N2O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.2047
Area:700.657
Solvation:-4.31171
Coulombic:-57.1536
Bond Count [?]
All:42
Single:25
Double:17
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:484.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.37
LogP (Chemaxon):5.54

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Descriptor Annotations

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