Chemical ID: 6400730

CCC(=O)N1CCc2c1cccc2
Chemical ID:
6400730
Name [?]:
1-indolin-1-ylpropan-1-one
SMILES [?]:
CCC(=O)N1CCc2c1cccc2
InChi [?]:
InChI=1/C11H13NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,7,6,8,9,3,5,4/rA:13nCCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.65281
Area:337.313
Solvation:-1.78002
Coulombic:-15.8953
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.227
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.52
LogP (Chemaxon):1.75

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Descriptor Annotations

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