Chemical ID: 5265971

c1ccc2c(c1)nc(s2)NC(=O)c3cc(ccc3Cl)[N](=O)O
Chemical ID:
5265971
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3cc(ccc3Cl)[N](=O)O
InChi [?]:
InChI=1/C14H9ClN3O3S/c15-10-6-5-8(18(20)21)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)22-14/h1-7H,(H,20,21)(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,15,13,18,5,4,11,8,19,7,10,20,12,21,22,9/E:(20,21)/CRV:18d/rA:22nCCCCCCNCSNCOCCCCCCClN.2OO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.20307
Area:506.362
Solvation:-8.45597
Coulombic:-37.3876
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.758
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):0.56

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Descriptor Annotations

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