ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7737632

Chemical ID:

7737632

Name [?]:

None

SMILES [?]:

c1cc(oc1)C(CNC(=O)C(=O)NCCCO)N2CCOCC2

InChi [?]:

InChI=1/C15H23N3O5/c19-7-2-4-16-14(20)15(21)17-11-12(13-3-1-8-23-13)18-5-9-22-10-6-18/h1,3,8,12,19H,2,4-7,9-11H2,(H,16,20)(H,17,21)

InChi Info:

AuxInfo=1/1/N:1,15,2,14,19,23,16,5,20,22,7,6,3,11,9,13,8,18,17,12,10,21,4/E:(5,6)(9,10)/rA:23cCCCOCCCNCOCONCCCONCCOCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s6;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₃O₅
All Atoms:	46
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	7.67982
Area:	552.966
Solvation:	-6.14433
Coulombic:	-81.6909

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	-1.5
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