Chemical ID: 7673306

COc1cc2ccccc2cc1CNc3ccccc3
Chemical ID:
7673306
Name [?]:
None
SMILES [?]:
COc1cc2ccccc2cc1CNc3ccccc3
InChi [?]:
InChI=1/C18H17NO/c1-20-18-12-15-8-6-5-7-14(15)11-16(18)13-19-17-9-3-2-4-10-17/h2-12,19H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,8,7,9,6,16,20,11,4,13,10,5,12,15,3,14,2/E:(3,4)(9,10)/rA:20nCOCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO
All Atoms:37
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:8.81472
Area:466.818
Solvation:-2.85573
Coulombic:-21.8043
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.56
LogP (Chemaxon):None

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