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Chemical ID: 4495325
Chemical ID:
4495325
Name [?]:
N-(1,3-dioxoisoindolin-4-yl)tetrahydrofuran-2-carboxamide
SMILES [?]:
c1cc2c(c(c1)NC(=O)C3CCCO3)C(=O)NC2=O
InChi [?]:
InChI=1/C13H12N2O4/c16-11-7-3-1-4-8(10(7)13(18)15-11)14-12(17)9-5-2-6-19-9/h1,3-4,9H,2,5-6H2,(H,14,17)(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,4,18,8,15,7,17,19,9,16,14/rA:19cCCCCCCNCOCCCCOCONCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s10s13;s4;d15;s15;s3s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.13486 |
Area: | 424.93 |
Solvation: | -4.48838 |
Coulombic: | -58.0174 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.245 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.34 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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