Chemical ID: 6834817

C=c1c(=Cc2cccs2)c(=O)n([nH]1)c3ccccc3
Chemical ID:
6834817
Name [?]:
5-methylene-2-phenyl-4-(2-thienylmethylene)pyrazolidin-3-one
SMILES [?]:
C=c1c(=Cc2cccs2)c(=O)n([nH]1)c3ccccc3
InChi [?]:
InChI=1/C15H12N2OS/c1-11-14(10-13-8-5-9-19-13)15(18)17(16-11)12-6-3-2-4-7-12/h2-10,16H,1H2
InChi Info:
AuxInfo=1/0/N:1,17,16,18,7,15,19,6,8,4,2,14,5,3,10,13,12,11,9/E:(3,4)(6,7)/rA:19nCCCCCCCCSCONNCCCCCC/rB:d1;s2;w3;s4;d5;s6;d7;s5s8;s3;d10;s10;s2s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2OS
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.1662
Area:441.559
Solvation:-1.87276
Coulombic:-26.122
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:268.335
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.86
LogP (Chemaxon):3.26

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