Chemical ID: 4692979

c1ccc2c(c1)CCCC(=O)N2Cc3ccc(cc3)Cl
Chemical ID:
4692979
Name [?]:
2-[(4-chlorophenyl)methyl]-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H16ClNO/c18-15-10-8-13(9-11-15)12-19-16-6-2-1-4-14(16)5-3-7-17(19)20/h1-2,4,6,8-11H,3,5,7,12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,15,19,16,18,13,14,5,17,4,10,20,12,11/E:(8,9)(10,11)/rA:20nCCCCCCCCCCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.62758
Area:455.893
Solvation:-1.76974
Coulombic:-18.4432
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:285.768
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):4.03

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