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Chemical ID: 4295195
Chemical ID:
4295195
Name [?]:
2-(3-chlorophenoxy)-N-[(4-hydroxyphenyl)methyleneamino]acetamide
SMILES [?]:
c1cc(cc(c1)Cl)OCC(=O)NN=Cc2ccc(cc2)O
InChi [?]:
InChI=1/C15H13ClN2O3/c16-12-2-1-3-14(8-12)21-10-15(20)18-17-9-11-4-6-13(19)7-5-11/h1-9,19H,10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,16,20,17,19,4,14,9,15,5,18,3,10,7,13,12,21,11,8/E:(4,5)(6,7)/rA:21nCCCCCCClOCCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.60599 |
Area: | 516.009 |
Solvation: | -6.29424 |
Coulombic: | -41.7712 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.728 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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