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Chemical ID: 5766884

Chemical ID:

5766884

Name [?]:

N-[(4-chlorophenyl)methyleneamino]-4-phenyl-3H-thiazol-2-imine

SMILES [?]:

c1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)Cl)[nH]2

InChi [?]:

InChI=1/C16H12ClN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,13,8,14,4,17,7,10,20,12,21,11,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNCCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;w10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂ClN₃S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1789
Area:	519.628
Solvation:	-1.81176
Coulombic:	-19.4238

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	313.805
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.43
LogP (Chemaxon):	4.4

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