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Chemical ID: 6851599
Chemical ID:
6851599
Name [?]:
(2-chlorophenyl)methyl 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate
SMILES [?]:
CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)OCc3ccccc3Cl
InChi [?]:
InChI=1/C19H16ClNO4/c1-11(2)21-17(22)14-8-7-12(9-15(14)18(21)23)19(24)25-10-13-5-3-4-6-16(13)20/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,20,23,9,8,11,18,2,10,19,7,12,24,5,13,15,25,4,6,14,16,17/E:(1,2)/rA:25nCCCNCOCCCCCCCOCOOCCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s10;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.353 |
Area: | 566.579 |
Solvation: | -2.81147 |
Coulombic: | -48.3622 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.787 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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