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Chemical ID: 6511919
Chemical ID:
6511919
Name [?]:
N-[2-methyl-4-(o-tolylazo)phenyl]acetamide
SMILES [?]:
Cc1ccccc1N=Nc2ccc(c(c2)C)NC(=O)C
InChi [?]:
InChI=1/C16H17N3O/c1-11-6-4-5-7-16(11)19-18-14-8-9-15(12(2)10-14)17-13(3)20/h4-10H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,16,20,4,5,3,6,11,12,15,2,14,18,10,13,7,17,9,8,19/rA:20nCCCCCCCNNCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52408 |
Area: | 448.324 |
Solvation: | -2.68403 |
Coulombic: | -23.9993 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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