Chemical ID: 6472275

c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCl
Chemical ID:
6472275
Name [?]:
5-chloro-1-(5-chloropentyl)indoline-2,3-dione
SMILES [?]:
c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCl
InChi [?]:
InChI=1/C13H13Cl2NO2/c14-6-2-1-3-7-16-11-5-4-9(15)8-10(11)12(17)13(16)18/h4-5,8H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:15,16,14,1,2,17,13,5,6,4,3,8,10,18,7,12,9,11/rA:18nCCCCCCClCOCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13Cl2NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.68134
Area:491.371
Solvation:-2.60294
Coulombic:-28.4353
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.153
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.19
LogP (Chemaxon):3.0

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Descriptor Annotations

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