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Chemical ID: 4296969
Chemical ID:
4296969
Name [?]:
2-(3-chlorophenoxy)-N-[(2-hydroxy-1-naphthyl)methyleneamino]acetamide
SMILES [?]:
c1ccc2c(c1)ccc(c2C=NNC(=O)COc3cccc(c3)Cl)O
InChi [?]:
InChI=1/C19H15ClN2O3/c20-14-5-3-6-15(10-14)25-12-19(24)22-21-11-17-16-7-2-1-4-13(16)8-9-18(17)23/h1-11,23H,12H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,6,21,19,3,7,8,23,11,16,5,22,18,4,10,9,14,24,12,13,25,15,17/rA:25nCCCCCCCCCCCNNCOCOCCCCCCClO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04209 |
Area: | 565.116 |
Solvation: | -6.08581 |
Coulombic: | -43.3353 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.787 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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