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Chemical ID: 6667697

c1cc(ccc1C=Nc2ccc(cc2)SSc3ccc(cc3)N=Cc4ccc(cc4)Cl)Cl

Chemical ID:

6667697

Name [?]:

1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methyleneamino]phenyl]disulfanylphenyl]-methanimine

SMILES [?]:

c1cc(ccc1C=Nc2ccc(cc2)SSc3ccc(cc3)N=Cc4ccc(cc4)Cl)Cl

InChi [?]:

InChI=1/C26H18Cl2N2S2/c27-21-5-1-19(2-6-21)17-29-23-9-13-25(14-10-23)31-32-26-15-11-24(12-16-26)30-18-20-3-7-22(28)8-4-20/h1-18H

InChi Info:

AuxInfo=1/0/N:1,5,26,30,2,4,27,29,10,14,19,21,11,13,18,22,7,24,6,25,3,28,9,20,12,17,32,31,8,23,15,16/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32nCCCCCCCNCCCCCCSSCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s20;w23;s24;s25;d26;s27;d28;d25s29;s28;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈Cl₂N₂S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	15.3144
Area:	706.524
Solvation:	-2.34876
Coulombic:	-16.3754

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	7
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	493.472
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	8.42
LogP (Chemaxon):	9.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value