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Chemical ID: 5696540
Chemical ID:
5696540
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-propyl-acetamide
SMILES [?]:
CCCNC(=O)COc1ccc2cc(ccc2c1)Br
InChi [?]:
InChI=1/C15H16BrNO2/c1-2-7-17-15(18)10-19-14-6-4-11-8-13(16)5-3-12(11)9-14/h3-6,8-9H,2,7,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,16,11,15,10,3,13,18,7,12,17,14,9,5,19,4,6,8/rA:19nCCCNCOCOCCCCCCCCCCBr/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38033 |
Area: | 485.691 |
Solvation: | -3.76195 |
Coulombic: | -29.737 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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