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Chemical ID: 7518726
Chemical ID:
7518726
Name [?]:
N-(2-chlorophenyl)-6-morpholinocarbonyl-cyclohex-3-ene-1-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC=CCC2C(=O)N3CCOCC3)Cl
InChi [?]:
InChI=1/C18H21ClN2O3/c19-15-7-3-4-8-16(15)20-17(22)13-5-1-2-6-14(13)18(23)21-9-11-24-12-10-21/h1-4,7-8,13-14H,5-6,9-12H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:12,13,2,1,11,14,3,6,19,23,20,22,10,15,4,5,8,16,24,7,18,9,17,21/E:(9,10)(11,12)/rA:24cCCCCCCNCOCCCCCCCONCCOCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;s10s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClN2O3 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.53954 |
Area: | 524.624 |
Solvation: | -4.57607 |
Coulombic: | -44.8307 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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