ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7655915

Chemical ID:

7655915

Name [?]:

None

SMILES [?]:

CCN(CC)CC(C)NC(=O)CCn1c(c(c(n1)C)Cl)C

InChi [?]:

InChI=1/C15H27ClN4O/c1-6-19(7-2)10-11(3)17-14(21)8-9-20-13(5)15(16)12(4)18-20/h11H,6-10H2,1-5H3,(H,17,21)

InChi Info:

AuxInfo=1/1/N:1,5,8,19,21,2,4,12,13,6,7,17,15,10,16,20,9,18,3,14,11/E:(1,2)(6,7)/rA:21cCCNCCCCCNCOCCNCCCNCClC/rB:s1;s2;s3;s4;s3;s6;s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;s14d17;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₇ClN₄O
All Atoms:	48
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3668
Area:	560.257
Solvation:	-2.63965
Coulombic:	-29.3206

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	9
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

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

Chemical Mix	Source	External ID	Descriptor	Value