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Chemical ID: 7159962
Chemical ID:
7159962
Name [?]:
2-(4-chloro-2-formyl-phenoxy)-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)COc2ccc(cc2C=O)Cl
InChi [?]:
InChI=1/C16H14ClNO3/c1-11-3-2-4-14(7-11)18-16(20)10-21-15-6-5-13(17)8-12(15)9-19/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,14,7,17,19,11,2,18,16,6,13,9,21,8,20,10,12/rA:21nCCCCCCCNCOCOCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08495 |
Area: | 514.542 |
Solvation: | -4.7786 |
Coulombic: | -35.9383 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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