Chemical ID: 4085726

c1cc(ccc1C=C2C(=O)N(C(=S)S2)N)[N+](=O)[O-]
Chemical ID:
4085726
Name [?]:
3-amino-5-[(4-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=S)S2)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H7N3O3S2/c11-12-9(14)8(18-10(12)17)5-6-1-3-7(4-2-6)13(15)16/h1-5H,11H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,6,3,8,9,12,15,11,16,10,17,18,13,14/E:(1,2)(3,4)(15,16)/CRV:13.5/rA:18nCCCCCCCCCONCSSNN+OO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3O3S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.86663
Area:442.16
Solvation:-7.18738
Coulombic:-37.3778
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:281.313
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.78
LogP (Chemaxon):2.5

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Descriptor Annotations

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