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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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Chemical Mix	Source	External ID	Descriptor	Value