Chemical ID: 5616386

CCCCC(=O)N=c1[nH]c(cs1)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5616386
Name [?]:
N-[4-(4-nitrophenyl)-3H-thiazol-2-ylidene]pentanamide
SMILES [?]:
CCCCC(=O)N=c1[nH]c(cs1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H15N3O3S/c1-2-3-4-13(18)16-14-15-12(9-21-14)10-5-7-11(8-6-10)17(19)20/h5-9H,2-4H2,1H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,14,18,15,17,11,13,16,10,5,8,9,7,19,6,20,21,12/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:21nCCCCCONCNCCSCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.96727
Area:517.922
Solvation:-6.98077
Coulombic:-39.7879
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:305.353
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.92
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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