ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4254083

Chemical ID:

4254083

Name [?]:

2,2-diphenylacetohydrazide

SMILES [?]:

c1ccc(cc1)C(c2ccccc2)C(=O)NN

InChi [?]:

InChI=1/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,4,8,7,14,17,16,15/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:17nCCCCCCCCCCCCCCONN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.38076
Area:	408.912
Solvation:	-2.84204
Coulombic:	-30.0473

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	226.274
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	1.91
LogP (Chemaxon):	2.58

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