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Chemical ID: 4703323
Chemical ID:
4703323
Name [?]:
(2-methyl-3-phenyl-isoxazolidin-5-yl)methyl anilinoformate
SMILES [?]:
CN1C(CC(O1)COC(=O)Nc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C18H20N2O3/c1-20-17(14-8-4-2-5-9-14)12-16(23-20)13-22-18(21)19-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,15,20,22,14,16,19,23,13,17,4,7,18,12,5,3,9,11,2,10,8,6/E:(4,5)(6,7)(8,9)(10,11)/rA:23cCNCCCOCOCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.45967 |
Area: | 539.03 |
Solvation: | -4.01609 |
Coulombic: | -40.1436 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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