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Chemical ID: 7118831

Chemical ID:

7118831

Name [?]:

2-chloro-1-[4-(4-phenylphenyl)piperazin-1-yl]-ethanone

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)N3CCN(CC3)C(=O)CCl

InChi [?]:

InChI=1/C18H19ClN2O/c19-14-18(22)21-12-10-20(11-13-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9H,10-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,14,18,15,17,21,4,7,10,19,22,13,16,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCCCCCCCCNCCNCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉ClN₂O
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.48849
Area:	520.06
Solvation:	-3.51301
Coulombic:	-23.9732

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	314.809
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.84
LogP (Chemaxon):	3.69

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