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Chemical ID: 6283006

c1cc(ccc1C=CC(=O)Nc2nnc(o2)c3ccc(cc3)Cl)[N+](=O)[O-]

Chemical ID:

6283006

Name [?]:

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)-prop-2-enamide

SMILES [?]:

c1cc(ccc1C=CC(=O)Nc2nnc(o2)c3ccc(cc3)Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C17H11ClN4O4/c18-13-6-4-12(5-7-13)16-20-21-17(26-16)19-15(23)10-3-11-1-8-14(9-2-11)22(24)25/h1-10H,(H,19,21,23)

InChi Info:

AuxInfo=1/1/N:1,5,7,18,22,19,21,2,4,8,6,17,20,3,9,15,12,23,11,14,13,24,10,25,26,16/E:(1,2)(4,5)(6,7)(8,9)(24,25)/CRV:22.5/rA:26nCCCCCCCCCONCNNCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₁ClN₄O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.5796
Area:	578.668
Solvation:	-7.88711
Coulombic:	-49.8404

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	370.746
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.02
LogP (Chemaxon):	3.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value