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Chemical ID: 7341999
Chemical ID:
7341999
Name [?]:
8-[(butyl-methyl-amino)methyl]-4-(6-chloro-2-oxo-chromen-3-yl)-7-hydroxy-chromen-2-one
SMILES [?]:
CCCCN(C)Cc1c(ccc2c1oc(=O)cc2c3cc4cc(ccc4oc3=O)Cl)O
InChi [?]:
InChI=1/C24H22ClNO5/c1-3-4-9-26(2)13-19-20(27)7-6-16-17(12-22(28)31-23(16)19)18-11-14-10-15(25)5-8-21(14)30-24(18)29/h5-8,10-12,27H,3-4,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,24,11,10,25,4,22,20,17,7,21,23,12,18,19,8,9,26,15,13,28,30,5,31,16,29,27,14/rA:31cCCCCNCCCCCCCCOCOCCCCCCCCCCOCOClO/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s12d17;s18;d19;s20;s21;d22;s23;d24;d21s25;s26;s19s27;d28;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22ClNO5 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3217 |
Area: | 655.744 |
Solvation: | -5.07192 |
Coulombic: | -58.7878 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 439.888 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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