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Chemical ID: 7690177

Cc1c(cccc1[N+](=O)[O-])c2ccc(o2)C3c4c(n[nH]c4OC(=C3C#N)N)c5ccc(cc5)Cl

Chemical ID:

7690177

Name [?]:

None

SMILES [?]:

Cc1c(cccc1[N+](=O)[O-])c2ccc(o2)C3c4c(n[nH]c4OC(=C3C#N)N)c5ccc(cc5)Cl

InChi [?]:

InChI=1/C24H16ClN5O4/c1-12-15(3-2-4-17(12)30(31)32)18-9-10-19(33-18)20-16(11-26)23(27)34-24-21(20)22(28-29-24)13-5-7-14(25)8-6-13/h2-10,20H,27H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,5,4,6,29,33,30,32,12,13,25,2,28,31,3,24,7,11,14,16,17,18,23,21,34,26,27,19,20,8,9,10,15,22/E:(5,6)(7,8)(31,32)/CRV:30.5/rA:34cCCCCCCCN+OO-CCCCOCCCNNCOCCCNNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d17s20;s21;s22;s16d23;s24;t25;s23;s18;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆ClN₅O₄
All Atoms:	50
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	6.7362
Area:	636.654
Solvation:	-9.18016
Coulombic:	-57.4898

Bond Count [?]

All:	38
Single:	25
Double:	12
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.6
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

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value