Chemical ID: 7114362

CC(C)N1c2ccc(cc2C(=O)C1=O)Cl
Chemical ID:
7114362
Name [?]:
5-chloro-1-isopropyl-indoline-2,3-dione
SMILES [?]:
CC(C)N1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C11H10ClNO2/c1-6(2)13-9-4-3-7(12)5-8(9)10(14)11(13)15/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,6,9,2,8,10,5,11,13,15,4,12,14/E:(1,2)/rA:15nCCCNCCCCCCCOCOCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s11;d13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO2
All Atoms:25
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.57599
Area:386.132
Solvation:-2.07731
Coulombic:-27.6691
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:223.655
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):2.16

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Descriptor Annotations

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