Chemical ID: 6283700

CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3[N+](=O)[O-])Cl
Chemical ID:
6283700
Name [?]:
N-(6-chloro-3-ethyl-benzothiazol-2-ylidene)-2-nitro-benzamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H12ClN3O3S/c1-2-19-13-8-7-10(17)9-14(13)24-16(19)18-15(21)11-5-3-4-6-12(11)20(22)23/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,16,19,6,5,8,7,15,20,4,9,13,11,24,12,3,21,14,22,23,10/E:(22,23)/CRV:20.5/rA:24nCCNCCCCCCSCNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.52776
Area:518.864
Solvation:-8.44384
Coulombic:-33.7689
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:361.804
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):5.44

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Descriptor Annotations

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