ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5120479

Chemical ID:

5120479

Name [?]:

N-(benzylideneaminoimino-phenyl-methyl)hydroxylamine

SMILES [?]:

c1ccc(cc1)C=NN=C(c2ccccc2)NO

InChi [?]:

InChI=1/C14H13N3O/c18-17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1-11,18H,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,7,4,11,10,8,9,17,18/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNNCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;s11;d12;s13;d14;d11s15;s10;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃N₃O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.53912
Area:	423.929
Solvation:	-3.0591
Coulombic:	-26.3545

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	239.273
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.37
LogP (Chemaxon):	2.21

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