Chemical ID: 6204071

CC1=NOC(=O)C1=Cc2ccc(o2)c3ccccc3
Chemical ID:
6204071
Name [?]:
3-methyl-4-[(5-phenyl-2-furyl)methylene]isoxazol-5-one
SMILES [?]:
CC1=NOC(=O)C1=Cc2ccc(o2)c3ccccc3
InChi [?]:
InChI=1/C15H11NO3/c1-10-13(15(17)19-16-10)9-12-7-8-14(18-12)11-5-3-2-4-6-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,10,11,8,2,14,9,7,12,5,3,6,13,4/E:(3,4)(5,6)/rA:19nCCNOCOCCCCCCOCCCCCC/rB:s1;d2;s3;s4;d5;s2s5;w7;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.18567
Area:427.273
Solvation:-2.49616
Coulombic:-24.407
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:253.253
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):3.21

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