Chemical ID: 4840463

c1ccc(cc1)C2=NOC(=O)C2=Cc3ccc(cc3)OCc4ccccc4Cl
Chemical ID:
4840463
Name [?]:
4-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-3-phenyl-isoxazol-5-one
SMILES [?]:
c1ccc(cc1)C2=NOC(=O)C2=Cc3ccc(cc3)OCc4ccccc4Cl
InChi [?]:
InChI=1/C23H16ClNO3/c24-21-9-5-4-8-18(21)15-27-19-12-10-16(11-13-19)14-20-22(25-28-23(20)26)17-6-2-1-3-7-17/h1-14H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,3,5,23,26,15,19,16,18,13,21,14,4,22,17,12,27,7,10,28,8,11,20,9/E:(2,3)(6,7)(10,11)(12,13)/rA:28nCCCCCCCNOCOCCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16ClNO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8368
Area:556.579
Solvation:-3.07765
Coulombic:-28.5172
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.831
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.42
LogP (Chemaxon):6.17

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