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Chemical ID: 4147250
Chemical ID:
4147250
Name [?]:
N-allyl-2-(4-bromophenoxy)-acetamide
SMILES [?]:
C=CCNC(=O)COc1ccc(cc1)Br
InChi [?]:
InChI=1/C11H12BrNO2/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,3,7,12,9,5,15,4,6,8/E:(3,4)(5,6)/rA:15nCCCNCOCOCCCCCCBr/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12BrNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9194 |
Area: | 421.997 |
Solvation: | -3.63053 |
Coulombic: | -30.1839 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.123 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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