Chemical ID: 4259249

c1cc(cc(c1)Cl)C(=O)NC2CN3CCC2CC3
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

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