Chemical ID: 5284815

CC1=CC(N(c2c1cccc2)C(=O)C(C)Cl)(C)C
Chemical ID:
5284815
Name [?]:
2-chloro-1-(2,2,4-trimethyl-1-quinolyl)-propan-1-one
SMILES [?]:
CC1=CC(N(c2c1cccc2)C(=O)C(C)Cl)(C)C
InChi [?]:
InChI=1/C15H18ClNO/c1-10-9-15(3,4)17(14(18)11(2)16)13-8-6-5-7-12(10)13/h5-9,11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,17,18,9,10,8,11,3,2,14,7,6,12,4,16,5,13/E:(3,4)/rA:18cCCCCNCCCCCCCOCCClCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s14;s4;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.0303
Area:421.819
Solvation:-1.51516
Coulombic:-18.6225
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.762
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):3.18

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Descriptor Annotations

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