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Chemical ID: 6325393
Chemical ID:
6325393
Name [?]:
5-ethylamino-2-methyl-isoindoline-1,3-dione
SMILES [?]:
CCNc1ccc2c(c1)C(=O)N(C2=O)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-12-7-4-5-8-9(6-7)11(15)13(2)10(8)14/h4-6,12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,5,6,9,4,7,8,13,10,3,12,14,11/rA:15nCCNCCCCCCCONCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7s12;d13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35413 |
Area: | 381.089 |
Solvation: | -2.17309 |
Coulombic: | -37.5397 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.2 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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