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Chemical ID: 6646649

c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)c4ccc(cc4)O

Chemical ID:

6646649

Name [?]:

[4-[(4-hydroxybenzoyl)aminoiminomethyl]phenyl] naphthalene-1-carboxylate

SMILES [?]:

c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)c4ccc(cc4)O

InChi [?]:

InChI=1/C25H18N2O4/c28-20-12-10-19(11-13-20)24(29)27-26-16-17-8-14-21(15-9-17)31-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-16,28H,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,8,6,7,3,9,16,18,26,30,27,29,15,19,20,17,5,25,28,14,4,10,23,11,21,22,31,24,12,13/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCCOOCCCCCCCNNCOCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈N₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2622
Area:	641.38
Solvation:	-4.77227
Coulombic:	-57.79

Bond Count [?]

All:	34
Single:	20
Double:	14
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	410.422
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.36
LogP (Chemaxon):	5.19

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