Chemical ID: 4692981

c1ccc2c(c1)CCCC(=O)N2Cc3ccccc3Cl
Chemical ID:
4692981
Name [?]:
2-[(2-chlorophenyl)methyl]-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2Cc3ccccc3Cl
InChi [?]:
InChI=1/C17H16ClNO/c18-15-9-3-1-7-14(15)12-19-16-10-4-2-6-13(16)8-5-11-17(19)20/h1-4,6-7,9-10H,5,8,11-12H2
InChi Info:
AuxInfo=1/0/N:16,1,17,2,8,6,15,7,18,3,9,13,5,14,19,4,10,20,12,11/rA:20nCCCCCCCCCCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.81622
Area:431.912
Solvation:-1.98159
Coulombic:-18.0173
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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