Chemical ID: 3990970

CCCCN1c2ccccc2C(=O)C1=O
Chemical ID:
3990970
Name [?]:
1-butylindoline-2,3-dione
SMILES [?]:
CCCCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C12H13NO2/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12(13)15/h4-7H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,9,8,10,7,4,11,6,12,14,5,13,15/rA:15nCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s12;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.70689
Area:388.104
Solvation:-1.99571
Coulombic:-28.6539
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):2.09

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