Chemical ID: 4899359

Cc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl
Chemical ID:
4899359
Name [?]:
[4-[(2-methylbenzoyl)aminoiminomethyl]phenyl] 3-chlorobenzoate
SMILES [?]:
Cc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C22H17ClN2O3/c1-15-5-2-3-8-20(15)21(26)25-24-14-16-9-11-19(12-10-16)28-22(27)17-6-4-7-18(23)13-17/h2-14H,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,24,3,23,25,6,14,18,15,17,27,12,2,13,22,26,16,7,8,20,28,11,10,9,21,19/E:(9,10)(11,12)/rA:28nCCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8928
Area:621.958
Solvation:-3.65612
Coulombic:-41.9532
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

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