Chemical ID: 7114358

CCCCN1c2ccc(cc2C(=O)C1=O)Cl
Chemical ID:
7114358
Name [?]:
1-butyl-5-chloro-indoline-2,3-dione
SMILES [?]:
CCCCN1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C12H12ClNO2/c1-2-3-6-14-10-5-4-8(13)7-9(10)11(15)12(14)16/h4-5,7H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,7,4,10,9,11,6,12,14,16,5,13,15/rA:16nCCCCNCCCCCCCOCOCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s12;d14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.42677
Area:423.578
Solvation:-2.16269
Coulombic:-28.164
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.682
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.7
LogP (Chemaxon):2.61

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