ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7714186

Chemical ID:

7714186

Name [?]:

None

SMILES [?]:

Cc1ccc2nc(cn2c1)c3ccc(cc3)NC(=O)C

InChi [?]:

InChI=1/C16H15N3O/c1-11-3-8-16-18-15(10-19(16)9-11)13-4-6-14(7-5-13)17-12(2)20/h3-10H,1-2H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,20,3,12,16,13,15,4,10,8,2,18,11,14,7,5,17,6,9,19/E:(4,5)(6,7)/rA:20nCCCCCNCCNCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅N₃O
All Atoms:	35
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.61013
Area:	461.758
Solvation:	-2.93381
Coulombic:	-30.5204

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.34
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