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Chemical ID: 5555032
Chemical ID:
5555032
Name [?]:
3-(5-chloro-2-methoxy-phenyl)amino-1-(p-tolyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)CC(C2=O)Nc3cc(ccc3OC)Cl
InChi [?]:
InChI=1/C18H17ClN2O3/c1-11-3-6-13(7-4-11)21-17(22)10-15(18(21)23)20-14-9-12(19)5-8-16(14)24-2/h3-9,15,20H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,19,4,6,20,17,11,2,18,5,16,12,21,9,13,24,15,8,10,14,22/E:(3,4)(6,7)/rA:24cCCCCCCCNCOCCCONCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.00185 |
Area: | 547.594 |
Solvation: | -4.68799 |
Coulombic: | -43.6966 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.792 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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