Chemical ID: 5281073

Cc1ccc2c(c1)C(=CC(N2C(=O)C(c3ccccc3)Cl)(C)C)C
Chemical ID:
5281073
Name [?]:
2-chloro-2-phenyl-1-(2,2,4,6-tetramethyl-1-quinolyl)-ethanone
SMILES [?]:
Cc1ccc2c(c1)C(=CC(N2C(=O)C(c3ccccc3)Cl)(C)C)C
InChi [?]:
InChI=1/C21H22ClNO/c1-14-10-11-18-17(12-14)15(2)13-21(3,4)23(18)20(24)19(22)16-8-6-5-7-9-16/h5-13,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,22,23,18,17,19,16,20,3,4,7,9,2,8,15,6,5,14,12,10,21,11,13/E:(3,4)(6,7)(8,9)/rA:24cCCCCCCCCCCNCOCCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s5s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s14;s10;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClNO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.3574
Area:522.126
Solvation:-1.69575
Coulombic:-20.5732
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.858
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):5.08

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Descriptor Annotations

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