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Chemical ID: 4195988
Chemical ID:
4195988
Name [?]:
N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)C2CCC=CC2)S(=O)(=O)N
InChi [?]:
InChI=1/C13H16N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,15,16)(H2,14,17,18)
InChi Info:
AuxInfo=1/1/N:13,14,12,15,11,1,5,2,4,10,6,3,8,19,7,9,17,18,16/E:(6,7)(8,9)(17,18)/CRV:19.6/rA:19cCCCCCCNCOCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s3;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.48848 |
Area: | 458.497 |
Solvation: | -2.97394 |
Coulombic: | -36.9819 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.344 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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