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Chemical ID: 7199341

Chemical ID:

7199341

Name [?]:

2,4-dichloro-N-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]benzamide

SMILES [?]:

c1cc(c(cc1Cl)Cl)C(=O)NCCC[NH+]2CCOCC2

InChi [?]:

InChI=1/C14H18Cl2N2O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)/p+1

InChi Info:

AuxInfo=1/1/N:13,1,2,12,14,16,20,17,19,5,6,3,4,9,7,8,11,15,10,18/E:(6,7)(8,9)/rA:20nCCCCCCClClCONCCCN+CCOCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉Cl₂N₂O₂₊
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.7148
Area:	523.668
Solvation:	-35.8065
Coulombic:	3.33804

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	318.218
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.48
LogP (Chemaxon):	1.67

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