Chemical ID: 6851599

CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)OCc3ccccc3Cl
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

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Descriptor Annotations

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