ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7669327

Chemical ID:

7669327

Name [?]:

None

SMILES [?]:

c1ccc(c(c1)CN2CCCC(C2)C(=O)NN)Cl

InChi [?]:

InChI=1/C13H18ClN3O/c14-12-6-2-1-4-10(12)8-17-7-3-5-11(9-17)13(18)16-15/h1-2,4,6,11H,3,5,7-9,15H2,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,10,6,11,3,9,7,13,5,12,4,14,18,17,16,8,15/rA:18cCCCCCCCNCCCCCCONNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈ClN₃O
All Atoms:	36
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.0719
Area:	447.878
Solvation:	-3.12504
Coulombic:	-32.8654

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.1
LogP (Chemaxon):	None

Name Annotations

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

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