ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7703336

Chemical ID:

7703336

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O

InChi [?]:

InChI=1/C17H17N3O4/c1-11-2-4-12(5-3-11)17(24)18-10-16(23)20-19-9-13-6-7-14(21)8-15(13)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,18,19,21,16,11,2,5,17,20,22,12,8,10,15,14,24,23,13,9/E:(2,3)(4,5)/rA:24nCCCCCCCCONCCONNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₄
All Atoms:	41
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	7.59442
Area:	556.108
Solvation:	-6.30829
Coulombic:	-71.0129

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.79
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value