ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7658461

Chemical ID:

7658461

Name [?]:

None

SMILES [?]:

CC(Cn1cc(cn1)Cl)C(=O)NC2CCN(CC2)C

InChi [?]:

InChI=1/C13H21ClN4O/c1-10(8-18-9-11(14)7-15-18)13(19)16-12-3-5-17(2)6-4-12/h7,9-10,12H,3-6,8H2,1-2H3,(H,16,19)

InChi Info:

AuxInfo=1/1/N:1,19,14,18,15,17,7,3,5,2,6,13,10,9,8,12,16,4,11/E:(3,4)(5,6)/rA:19cCCCNCCCNClCONCCCNCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s6;s2;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₁ClN₄O
All Atoms:	40
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	9.58132
Area:	489.641
Solvation:	-2.6597
Coulombic:	-29.4824

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.16
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