Chemical ID: 4185057

c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4ccc(cc4)O
Chemical ID:
4185057
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4ccc(cc4)O
InChi [?]:
InChI=1/C18H20N2O2/c21-16-6-4-13(5-7-16)9-19-10-14-8-15(12-19)17-2-1-3-18(22)20(17)11-14/h1-7,14-15,21H,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,7,17,21,18,20,10,15,14,8,12,16,9,11,19,3,5,13,4,22,6/E:(4,5)(6,7)/rA:22cCCCNCOCCCCCCNCCCCCCCCO/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:7.89422
Area:457.836
Solvation:-3.55167
Coulombic:-36.8545
Bond Count [?]
All:25
Single:19
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:296.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.29
LogP (Chemaxon):1.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue