Chemical ID: 6195122

COc1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)O)[nH]2
Chemical ID:
6195122
Name [?]:
4-[[4-(4-methoxyphenyl)-3H-thiazol-2-ylidene]aminoiminomethyl]phenol
SMILES [?]:
COc1ccc(cc1)c2csc(=NN=Cc3ccc(cc3)O)[nH]2
InChi [?]:
InChI=1/C17H15N3O2S/c1-22-15-8-4-13(5-9-15)16-11-23-17(19-16)20-18-10-12-2-6-14(21)7-3-12/h2-11,21H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,15,10,16,6,19,3,9,12,14,23,13,22,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCOCCCCCCCCSCNNCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.17589
Area:533.779
Solvation:-4.16859
Coulombic:-40.3331
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:325.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.32
LogP (Chemaxon):3.34

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Descriptor Annotations

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