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Chemical ID: 4247767
Chemical ID:
4247767
Name [?]:
7-methyl-1-[2-(4-tert-butylphenoxy)ethyl]indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCOc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H23NO3/c1-14-6-5-7-17-18(14)22(20(24)19(17)23)12-13-25-16-10-8-15(9-11-16)21(2,3)4/h5-11H,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,25,4,3,5,18,20,17,21,13,14,2,19,16,6,7,11,9,22,8,12,10,15/E:(2,3,4)(8,9)(10,11)/rA:25nCCCCCCCNCOCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57557 |
Area: | 548.056 |
Solvation: | -4.12583 |
Coulombic: | -36.0653 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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