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Chemical ID: 6342923
Chemical ID:
6342923
Name [?]:
2-(4-chlorophenoxy)-N-[1-(3-hydroxyphenyl)ethylideneamino]acetamide
SMILES [?]:
CC(=NNC(=O)COc1ccc(cc1)Cl)c2cccc(c2)O
InChi [?]:
InChI=1/C16H15ClN2O3/c1-11(12-3-2-4-14(20)9-12)18-19-16(21)10-22-15-7-5-13(17)6-8-15/h2-9,20H,10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,11,13,10,14,21,7,2,16,12,20,9,5,15,3,4,22,6,8/E:(5,6)(7,8)/rA:22nCCNNCOCOCCCCCCClCCCCCCO/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s2;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25212 |
Area: | 547.549 |
Solvation: | -6.43661 |
Coulombic: | -41.7104 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.04 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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