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Chemical ID: 7498997
Chemical ID:
7498997
Name [?]:
N-(4-allyloxyphenyl)-2-chloro-benzamide
SMILES [?]:
C=CCOc1ccc(cc1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClNO2/c1-2-11-20-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17/h2-10H,1,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,7,9,6,10,3,8,5,14,19,12,20,11,13,4/E:(7,8)(9,10)/rA:20nCCCOCCCCCCNCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86886 |
Area: | 489.191 |
Solvation: | -3.36092 |
Coulombic: | -31.5159 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.741 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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