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Chemical ID: 4236265
Chemical ID:
4236265
Name [?]:
5-chloro-1-[(4-chlorophenyl)methyl]indoline-2,3-dione
SMILES [?]:
c1cc(ccc1CN2c3ccc(cc3C(=O)C2=O)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl2NO2/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(17)7-12(13)14(19)15(18)20/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,10,13,7,6,3,12,14,9,15,17,20,19,8,16,18/E:(1,2)(3,4)/rA:20nCCCCCCCNCCCCCCCOCOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;d17;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43448 |
Area: | 478.975 |
Solvation: | -2.53991 |
Coulombic: | -29.17 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 306.143 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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