Chemical ID: 6472276

c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCCl
Chemical ID:
6472276
Name [?]:
5-chloro-1-(6-chlorohexyl)indoline-2,3-dione
SMILES [?]:
c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCCl
InChi [?]:
InChI=1/C14H15Cl2NO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2
InChi Info:
AuxInfo=1/0/N:16,15,17,14,1,2,18,13,5,6,4,3,8,10,19,7,12,9,11/rA:19nCCCCCCClCOCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s10;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15Cl2NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3694
Area:518.006
Solvation:-2.58079
Coulombic:-28.7881
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.18
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.4

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Descriptor Annotations

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