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Chemical ID: 6381291

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3O

Chemical ID:

6381291

Name [?]:

[4-[(2-hydroxybenzoyl)aminoiminomethyl]phenyl] benzoate

SMILES [?]:

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3O

InChi [?]:

InChI=1/C21H16N2O4/c24-19-9-5-4-8-18(19)20(25)23-22-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14,24H,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,12,14,11,15,16,13,4,10,21,26,19,7,17,18,27,20,8,9/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCOOCCCCCCCNNCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆N₂O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.49097
Area:	583.132
Solvation:	-5.08734
Coulombic:	-56.5211

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	360.363
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.52
LogP (Chemaxon):	4.84

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