Chemical ID: 4236265

c1cc(ccc1CN2c3ccc(cc3C(=O)C2=O)Cl)Cl
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

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Descriptor Annotations

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