ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7693723

Chemical ID:

7693723

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cnc2c(c1N3CCNCC3)cccc2OC

InChi [?]:

InChI=1/C17H21N3O3/c1-3-23-17(21)13-11-19-15-12(5-4-6-14(15)22-2)16(13)20-9-7-18-8-10-20/h4-6,11,18H,3,7-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,19,18,20,14,16,13,17,7,10,6,21,9,11,4,15,8,12,5,22,3/E:(7,8)(9,10)/rA:23nCCOCOCCNCCCNCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s12s16;d10;s18;d19;d9s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁N₃O₃
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.04222
Area:	500.064
Solvation:	-4.45939
Coulombic:	-46.3053

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.01
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

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Chemical Mix	Source	External ID	Descriptor	Value