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Chemical ID: 6400730
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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