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Chemical ID: 6341320

Chemical ID:

6341320

Name [?]:

4-chloro-N-(4-fluoro-3-nitro-phenyl)-butanamide

SMILES [?]:

c1cc(c(cc1NC(=O)CCCCl)[N+](=O)[O-])F

InChi [?]:

InChI=1/C10H10ClFN2O3/c11-5-1-2-10(15)13-7-3-4-8(12)9(6-7)14(16)17/h3-4,6H,1-2,5H2,(H,13,15)

InChi Info:

AuxInfo=1/1/N:11,10,1,2,12,5,6,3,4,8,13,17,7,14,9,15,16/E:(16,17)/CRV:14.5/rA:17nCCCCCCNCOCCCClN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s4;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀ClFN₂O₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	1.16941
Area:	436.287
Solvation:	-9.73777
Coulombic:	-32.6034

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	260.649
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.16
LogP (Chemaxon):	2.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value