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Chemical ID: 4778170
Chemical ID:
4778170
Name [?]:
1-[2-(1H-indol-3-yl)ethyl]piperidine-2,6-dione
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCN3C(=O)CCCC3=O
InChi [?]:
InChI=1/C15H16N2O2/c18-14-6-3-7-15(19)17(14)9-8-11-10-16-13-5-2-1-4-12(11)13/h1-2,4-5,10,16H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,3,15,17,10,11,8,7,5,4,13,18,9,12,14,19/E:(6,7)(14,15)(18,19)/rA:19nCCCCCCCCNCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s13;s15;s16;s12s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85691 |
Area: | 436.165 |
Solvation: | -3.04721 |
Coulombic: | -34.6624 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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