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Chemical ID: 6883648
Chemical ID:
6883648
Name [?]:
(4-chlorophenyl)methyl 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate
SMILES [?]:
CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO4/c1-11(2)21-17(22)15-8-5-13(9-16(15)18(21)23)19(24)25-10-12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,24,9,21,23,8,11,18,2,19,10,22,7,12,5,13,15,25,4,6,14,16,17/E:(1,2)(3,4)(6,7)/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;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3623 |
Area: | 577.156 |
Solvation: | -3.06658 |
Coulombic: | -48.0471 |
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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