Chemical ID: 6622233

CNC1(CCCCC1=O)c2cccc(c2)Cl
Chemical ID:
6622233
Name [?]:
2-(3-chlorophenyl)-2-methylamino-cyclohexan-1-one
SMILES [?]:
CNC1(CCCCC1=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C13H16ClNO/c1-15-13(8-3-2-7-12(13)16)10-5-4-6-11(14)9-10/h4-6,9,15H,2-3,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,12,11,13,7,4,15,10,14,8,3,16,2,9/rA:16cCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s3;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.81598
Area:400.328
Solvation:-2.19222
Coulombic:-18.6927
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.725
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):3.17

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