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Chemical ID: 4092470

Chemical ID:

4092470

Name [?]:

4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]phenol

SMILES [?]:

c1cc(c(c(c1)Cl)Cl)N=Cc2cc(ccc2O)Cl

InChi [?]:

InChI=1/C13H8Cl3NO/c14-9-4-5-12(18)8(6-9)7-17-11-3-1-2-10(15)13(11)16/h1-7,18H

InChi Info:

AuxInfo=1/0/N:1,6,2,14,15,12,10,11,13,5,3,16,4,18,7,8,9,17/rA:18nCCCCCCClClNCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₈Cl₃NO
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73483
Area:	434.659
Solvation:	-2.13165
Coulombic:	-23.8975

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	300.567
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.84
LogP (Chemaxon):	5.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value