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Chemical ID: 4259249
Chemical ID:
4259249
Name [?]:
3-chloro-N-quinuclidin-3-yl-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)NC2CN3CCC2CC3
InChi [?]:
InChI=1/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,17,14,18,4,12,16,3,5,11,8,7,10,13,9/E:(4,5)(6,7)/rA:18cCCCCCCClCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s11s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17ClN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.19122 |
Area: | 441.669 |
Solvation: | -1.8505 |
Coulombic: | -28.0698 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.75 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.47 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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