Chemical ID: 5841245

CC(=NNc1nc(cs1)c2ccc(cc2)Cl)c3ccccc3O
Chemical ID:
5841245
Name [?]:
2-[1-[4-(4-chlorophenyl)thiazol-2-yl]aminoiminoethyl]phenol
SMILES [?]:
CC(=NNc1nc(cs1)c2ccc(cc2)Cl)c3ccccc3O
InChi [?]:
InChI=1/C17H14ClN3OS/c1-11(14-4-2-3-5-16(14)22)20-21-17-19-15(10-23-17)12-6-8-13(18)9-7-12/h2-10,22H,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,11,15,12,14,8,2,10,13,17,7,22,5,16,6,3,4,23,9/E:(6,7)(8,9)/rA:23nCCNNCNCCSCCCCCCClCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s2;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4009
Area:550.32
Solvation:-3.35715
Coulombic:-33.831
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:343.831
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.54
LogP (Chemaxon):5.02

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Descriptor Annotations

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