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Chemical ID: 6445359
Chemical ID:
6445359
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-2-hydroxy-acetamide
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C=NNC(=O)CO)Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c17-14-5-1-13(2-6-14)11-22-15-7-3-12(4-8-15)9-18-19-16(21)10-20/h1-9,20H,10-11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,11,13,2,4,10,14,15,20,7,12,6,3,9,18,22,16,17,21,19,8/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCOCCCCCCCNNCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61928 |
Area: | 542.527 |
Solvation: | -6.94388 |
Coulombic: | -42.6518 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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