Chemical ID: 4177627

c1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)O
Chemical ID:
4177627
Name [?]:
4-[(4-phenylthiazol-2-yl)aminoiminomethyl]phenol
SMILES [?]:
c1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)O
InChi [?]:
InChI=1/C16H13N3OS/c20-14-8-6-12(7-9-14)10-17-19-16-18-15(11-21-16)13-4-2-1-3-5-13/h1-11,20H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,14,8,15,4,18,7,10,13,11,12,21,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.56021
Area:501.315
Solvation:-2.97266
Coulombic:-34.31
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:295.36
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):4.86

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