Chemical ID: 4495325

c1cc2c(c(c1)NC(=O)C3CCCO3)C(=O)NC2=O
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

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Descriptor Annotations

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