Chemical ID: 5613682

CC(=O)N=c1[nH]c(cs1)c2cccc3c2cccc3
Chemical ID:
5613682
Name [?]:
N-[4-(1-naphthyl)-3H-thiazol-2-ylidene]acetamide
SMILES [?]:
CC(=O)N=c1[nH]c(cs1)c2cccc3c2cccc3
InChi [?]:
InChI=1/C15H12N2OS/c1-10(18)16-15-17-14(9-19-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,12,19,13,16,11,8,2,14,15,10,7,5,4,6,3,9/rA:19nCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;w4;s5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.27687
Area:443.39
Solvation:-1.80789
Coulombic:-28.7118
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:2
XLogP:4.02
LogP (Chemaxon):3.33

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Descriptor Annotations

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