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Chemical ID: 6814403
Chemical ID:
6814403
Name [?]:
2-(3-bromophenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COc3cccc(c3)Br
InChi [?]:
InChI=1/C18H14BrNO2/c19-14-7-4-8-15(11-14)22-12-18(21)20-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,18,6,7,19,17,3,9,21,14,5,20,16,4,10,12,22,11,13,15/rA:22nCCCCCCCCCCNCOCOCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrNO2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64914 |
Area: | 508.895 |
Solvation: | -4.07325 |
Coulombic: | -30.1024 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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