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Chemical ID: 7270692
Chemical ID:
7270692
Name [?]:
2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCCCN2CCCC2=O)Br
InChi [?]:
InChI=1/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,13,18,2,4,1,5,12,16,14,8,3,6,9,19,21,11,15,10,20,7/E:(4,5)(6,7)/rA:21nCCCCCCOCCONCCCNCCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s15s18;d19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19BrN2O3 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28435 |
Area: | 540.859 |
Solvation: | -5.23713 |
Coulombic: | -43.1526 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.89 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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