Chemical ID: 6708698

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)c3ccccc3C2=O
Chemical ID:
6708698
Name [?]:
2-[2-[(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)carbonyl]ethyl]isoindoline-1,3-dione
SMILES [?]:
C[NH+]1CCN(CC1)C(=O)CCN2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C16H19N3O3/c1-17-8-10-18(11-9-17)14(20)6-7-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5H,6-11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,10,11,3,7,4,6,15,20,8,13,21,2,5,12,9,14,22/E:(2,3)(4,5)(8,9)(10,11)(12,13)(15,16)(21,22)/rA:22nCN+CCNCCCOCCNCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N3O3+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-21.8188
Area:504.199
Solvation:-34.4238
Coulombic:-10.9295
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.348
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.25
LogP (Chemaxon):-0.22

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Descriptor Annotations

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