Chemical ID: 4147815

CCCCCCN1c2ccccc2C(=O)C1=O
Chemical ID:
4147815
Name [?]:
1-hexylindoline-2,3-dione
SMILES [?]:
CCCCCCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C14H17NO2/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)13(16)14(15)17/h5-6,8-9H,2-4,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,11,10,5,12,9,6,13,8,14,16,7,15,17/rA:17nCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.0157
Area:440.864
Solvation:-2.00591
Coulombic:-29.2583
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.29
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):2.88

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