Chemical ID: 7114360

CC(C)CCN1c2ccc(cc2C(=O)C1=O)Cl
Chemical ID:
7114360
Name [?]:
5-chloro-1-isopentyl-indoline-2,3-dione
SMILES [?]:
CC(C)CCN1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C13H14ClNO2/c1-8(2)5-6-15-11-4-3-9(14)7-10(11)12(16)13(15)17/h3-4,7-8H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,4,5,11,2,10,12,7,13,15,17,6,14,16/E:(1,2)/rA:17nCCCCCNCCCCCCCOCOCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s13;d15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14ClNO2
All Atoms:31
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.84353
Area:439.021
Solvation:-2.13198
Coulombic:-28.4273
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.708
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):2.94

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Descriptor Annotations

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