Chemical ID: 6497821

c1cc2cc(ccc2nc1)NC(=O)CCCl
Chemical ID:
6497821
Name [?]:
3-chloro-N-(6-quinolyl)propanamide
SMILES [?]:
c1cc2cc(ccc2nc1)NC(=O)CCCl
InChi [?]:
InChI=1/C12H11ClN2O/c13-6-5-12(16)15-10-3-4-11-9(8-10)2-1-7-14-11/h1-4,7-8H,5-6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,14,15,10,4,3,5,8,12,16,9,11,13/rA:16nCCCCCCCCNCNCOCCCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s5;s11;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11ClN2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.86072
Area:416.522
Solvation:-2.55234
Coulombic:-24.9004
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.681
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.23

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Descriptor Annotations

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