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Chemical ID: 7474167
Chemical ID:
7474167
Name [?]:
N-allyl-2-[(1-bromo-2-naphthyl)oxy]acetamide
SMILES [?]:
C=CCNC(=O)COc1ccc2ccccc2c1Br
InChi [?]:
InChI=1/C15H14BrNO2/c1-2-9-17-14(18)10-19-13-8-7-11-5-3-4-6-12(11)15(13)16/h2-8H,1,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,11,10,3,7,12,17,9,5,18,19,4,6,8/rA:19nCCCNCOCOCCCCCCCCCCBr/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO2 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9109 |
Area: | 472.769 |
Solvation: | -3.90831 |
Coulombic: | -31.1956 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.181 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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