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Chemical ID: 4340190
Chemical ID:
4340190
Name [?]:
N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NCCN2CCCC2=O
InChi [?]:
InChI=1/C13H16N2O2/c16-12-7-4-9-15(12)10-8-14-13(17)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,15,10,13,11,4,16,7,9,12,17,8/E:(2,3)(5,6)/rA:17nCCCCCCCONCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s12s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96092 |
Area: | 437.669 |
Solvation: | -2.98081 |
Coulombic: | -38.1018 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.05 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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