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Chemical ID: 7498257
Chemical ID:
7498257
Name [?]:
1-indolin-1-yl-2-(4-phenylphenoxy)-propan-1-one
SMILES [?]:
CC(C(=O)N1CCc2c1cccc2)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C23H21NO2/c1-17(23(25)24-16-15-20-9-5-6-10-22(20)24)26-21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,12,11,22,26,13,10,17,19,16,20,7,6,2,21,18,8,15,9,3,5,4,14/E:(3,4)(7,8)(11,12)(13,14)/rA:26cCCCONCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;d9;s10;d11;d8s12;s2;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO2 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0593 |
Area: | 561.324 |
Solvation: | -3.97379 |
Coulombic: | -27.2416 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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