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Chemical ID: 6621338

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl

Chemical ID:

6621338

Name [?]:

[4-[(4-methylbenzoyl)aminoiminomethyl]phenyl] 2-chlorobenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl

InChi [?]:

InChI=1/C22H17ClN2O3/c1-15-6-10-17(11-7-15)21(26)25-24-14-16-8-12-18(13-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,24,25,23,26,3,7,14,18,4,6,15,17,12,2,13,5,16,22,27,8,20,28,11,10,9,21,19/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4964
Area:	616.525
Solvation:	-3.91671
Coulombic:	-41.4754

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	392.835
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.55
LogP (Chemaxon):	5.46

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