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Chemical ID: 4799552
Chemical ID:
4799552
Name [?]:
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-chromen-2-one
SMILES [?]:
Cc1ccc2c(c1)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H24N2O3/c1-16-3-8-21-20(13-16)17(14-22(25)27-21)15-23-9-11-24(12-10-23)18-4-6-19(26-2)7-5-18/h3-8,13-14H,9-12,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,21,25,22,24,4,15,19,16,18,7,9,13,2,8,20,23,6,5,10,14,17,11,26,12/E:(4,5)(6,7)(9,10)(11,12)/rA:27nCCCCCCCCCCOOCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s8;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8317 |
Area: | 578.458 |
Solvation: | -4.62976 |
Coulombic: | -37.5076 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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