Chemical ID: 6407325

c1ccc2c(c1)c(c[nH]2)CCC(=O)NN=Cc3ccc(s3)[N+](=O)[O-]
Chemical ID:
6407325
Name [?]:
3-(1H-indol-3-yl)-N-[(5-nitro-2-thienyl)methyleneamino]propanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCC(=O)NN=Cc3ccc(s3)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H14N4O3S/c21-15(19-18-10-12-6-8-16(24-12)20(22)23)7-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,6,8-10,17H,5,7H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,18,11,19,8,16,7,17,5,4,12,20,9,15,14,22,13,23,24,21/E:(22,23)/CRV:20.5/rA:24nCCCCCCCCNCCCONNCCCCCSN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;w15;s16;d17;s18;d19;s17s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.7443
Area:560.017
Solvation:-10.2561
Coulombic:-39.0902
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:342.374
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):3.45

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