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Chemical ID: 5911061

c1cc(oc1)CN(CC2CCCO2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

Chemical ID:

5911061

Name [?]:

4-chloro-N-(2-furylmethyl)-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

c1cc(oc1)CN(CC2CCCO2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C17H17ClN2O5/c18-15-6-5-12(9-16(15)20(22)23)17(21)19(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1,3,5-7,9,14H,2,4,8,10-11H2

InChi Info:

AuxInfo=1/0/N:1,11,2,10,17,18,5,12,21,6,8,16,3,9,19,20,14,25,7,22,15,23,24,4,13/E:(22,23)/CRV:20.5/rA:25cCCCOCCNCCCCCOCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s10;s11;s9s12;s7;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇ClN₂O₅
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	3.783
Area:	545.027
Solvation:	-9.84267
Coulombic:	-42.152

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	364.78
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.72
LogP (Chemaxon):	2.62

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value