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Chemical ID: 7692151

c1cc(oc1)c2nnc(n2c3ccc(cc3)Cl)SCC(=O)Nc4ccc(cc4)[N+](=O)[O-]

Chemical ID:

7692151

Name [?]:

None

SMILES [?]:

c1cc(oc1)c2nnc(n2c3ccc(cc3)Cl)SCC(=O)Nc4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C20H14ClN5O4S/c21-13-3-7-15(8-4-13)25-19(17-2-1-11-30-17)23-24-20(25)31-12-18(27)22-14-5-9-16(10-6-14)26(28)29/h1-11H,12H2,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,2,13,15,24,28,12,16,25,27,5,19,14,23,11,26,3,20,6,9,17,22,7,8,10,29,21,30,31,4,18/E:(3,4)(5,6)(7,8)(9,10)(28,29)/CRV:26.5/rA:31nCCCOCCNNCNCCCCCCClSCCONCCCCCCN+OO-/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₄ClN₅O₄S
All Atoms:	45
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	7.73895
Area:	674.255
Solvation:	-9.11743
Coulombic:	-52.0584

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.19
LogP (Chemaxon):	None

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