ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6049177

Chemical ID:

6049177

Name [?]:

amino-(4-phenylphenyl)-methanone oxime

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)C(=NO)N

InChi [?]:

InChI=1/C13H12N2O/c14-13(15-16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,16H,(H2,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,4,7,10,13,16,14,15/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCCCCCCCNON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₂N₂O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.89845
Area:	395.482
Solvation:	-1.98859
Coulombic:	-33.0695

Bond Count [?]

All:	17
Single:	10
Double:	7
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	212.247
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	3.41
LogP (Chemaxon):	2.51

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

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Chemical Mix	Source	External ID	Descriptor	Value