Chemical ID: 4363092

CC1C(NC(CC1=O)c2ccc(cc2)Cl)c3ccc(cc3)Cl
Chemical ID:
4363092
Name [?]:
2,6-bis(4-chlorophenyl)-3-methyl-piperidin-4-one
SMILES [?]:
CC1C(NC(CC1=O)c2ccc(cc2)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H17Cl2NO/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13/h2-9,11,16,18,21H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,17,21,11,13,18,20,6,2,9,16,12,19,5,7,3,15,22,4,8/E:(2,3)(4,5)(6,7)(8,9)/rA:22cCCCNCCCOCCCCCCClCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;d7;s5;s9;d10;s11;d12;d9s13;s12;s3;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl2NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:11.0483
Area:531.609
Solvation:-2.24198
Coulombic:-19.6176
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.239
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):5.25

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Descriptor Annotations

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