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Chemical ID: 4231259
Chemical ID:
4231259
Name [?]:
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(p-tolyl)ethyl]-indolin-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)CC2(c3ccccc3N(C2=O)Cc4ccc(cc4)Cl)O
InChi [?]:
InChI=1/C24H20ClNO3/c1-16-6-10-18(11-7-16)22(27)14-24(29)20-4-2-3-5-21(20)26(23(24)28)15-17-8-12-19(25)13-9-17/h2-13,29H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,23,27,4,6,24,26,10,21,2,22,5,25,12,17,8,19,11,28,18,9,20,29/E:(6,7)(8,9)(10,11)(12,13)/rA:29cCCCCCCCCOCCCCCCCCNCOCCCCCCCClO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.155 |
Area: | 613.693 |
Solvation: | -4.18735 |
Coulombic: | -44.9802 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 405.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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