Chemical ID: 6883648

CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)OCc3ccc(cc3)Cl
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

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Descriptor Annotations

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