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Chemical ID: 7431655
Chemical ID:
7431655
Name [?]:
1-[(4-ethylpiperazin-1-yl)methyl]indoline-2,3-dione
SMILES [?]:
CCN1CCN(CC1)CN2c3ccccc3C(=O)C2=O
InChi [?]:
InChI=1/C15H19N3O2/c1-2-16-7-9-17(10-8-16)11-18-13-6-4-3-5-12(13)14(19)15(18)20/h3-6H,2,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,4,8,5,7,9,16,11,17,19,3,6,10,18,20/E:(7,8)(9,10)/rA:20nCCNCCNCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28598 |
Area: | 457.049 |
Solvation: | -3.14025 |
Coulombic: | -36.7453 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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