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Chemical ID: 7664302

c1ccc2c(c1)ccc(c2C=NNC(=O)c3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl

Chemical ID:

7664302

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)ccc(c2C=NNC(=O)c3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H16ClN3O5/c26-19-10-5-18(6-11-19)25(31)34-23-14-9-16-3-1-2-4-21(16)22(23)15-27-28-24(30)17-7-12-20(13-8-17)29(32)33/h1-15H,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,29,33,17,21,7,30,32,18,20,8,11,5,16,28,31,19,4,10,9,14,26,34,12,13,22,15,27,23,24,25/E:(5,6)(7,8)(10,11)(12,13)(32,33)/CRV:29.5/rA:34nCCCCCCCCCCCNNCOCCCCCCN+OO-OCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;s9;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₆ClN₃O₅
All Atoms:	50
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	7.02976
Area:	682.877
Solvation:	-10.0422
Coulombic:	-52.0243

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.15
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