ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7623096

Chemical ID:

7623096

Name [?]:

N-(7-chloro-4-quinolyl)pentane-1,4-diamine

SMILES [?]:

CC(CCCN)Nc1ccnc2c1ccc(c2)Cl

InChi [?]:

InChI=1/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,4,3,15,14,9,5,10,17,2,16,13,8,12,18,6,11,7/rA:18cCCCCCNNCCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;s2;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈ClN₃
All Atoms:	36
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.94239
Area:	470.202
Solvation:	-1.81266
Coulombic:	-29.9905

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.79
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