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Chemical ID: 4168003
Chemical ID:
4168003
Name [?]:
1-[2-(1H-indol-3-yl)-1-methyl-ethyl]pyrrolidine-2,5-dione
SMILES [?]:
CC(Cc1c[nH]c2c1cccc2)N3C(=O)CCC3=O
InChi [?]:
InChI=1/C15H16N2O2/c1-10(17-14(18)6-7-15(17)19)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,16H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,16,17,3,5,2,4,8,7,14,18,6,13,15,19/E:(6,7)(14,15)(18,19)/rA:19cCCCCCNCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;s6;s4s7;d8;s9;d10;d7s11;s2;s13;d14;s14;s16;s13s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.75793 |
Area: | 402.03 |
Solvation: | -3.29281 |
Coulombic: | -33.9607 |
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: | 1.57 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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