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Chemical ID: 5791076

Chemical ID:

5791076

Name [?]:

4-chloro-N-[(4-hydroxyphenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

c1cc(ccc1C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)O

InChi [?]:

InChI=1/C16H14ClN3O3/c17-13-5-3-12(4-6-13)16(23)18-10-15(22)20-19-9-11-1-7-14(21)8-2-11/h1-9,21H,10H2,(H,18,23)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,17,21,18,20,2,4,7,12,6,16,19,3,10,14,22,13,8,9,23,11,15/E:(1,2)(3,4)(5,6)(7,8)/rA:23nCCCCCCCNNCOCNCOCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClN₃O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.06101
Area:	558.631
Solvation:	-4.90476
Coulombic:	-57.0896

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.753
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.38
LogP (Chemaxon):	2.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value