Chemical ID: 4725063

c1ccc2c(c1)C(=O)C(=O)N2CC=CCCl
Chemical ID:
4725063
Name [?]:
1-(4-chlorobut-2-enyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC=CCCl
InChi [?]:
InChI=1/C12H10ClNO2/c13-7-3-4-8-14-10-6-2-1-5-9(10)11(15)12(14)16/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,3,15,12,5,4,7,9,16,11,8,10/rA:16nCCCCCCCOCONCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;w13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.77416
Area:414.153
Solvation:-2.57967
Coulombic:-29.185
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:235.666
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.89
LogP (Chemaxon):2.12

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Descriptor Annotations

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