Chemical ID: 5696540

CCCNC(=O)COc1ccc2cc(ccc2c1)Br
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

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Descriptor Annotations

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