Chemical ID: 6832770

COc1ccc2c(c1)c(cc([nH+]2)c3ccccc3)O
Chemical ID:
6832770
Name [?]:
6-methoxy-2-phenyl-1H-quinolin-4-ol
SMILES [?]:
COc1ccc2c(c1)c(cc([nH+]2)c3ccccc3)O
InChi [?]:
InChI=1/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,4,5,8,10,13,3,7,6,11,9,12,19,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCCCN+CCCCCCO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14NO2+
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-22.8233
Area:435.791
Solvation:-33.7181
Coulombic:-15.4487
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.288
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.66
LogP (Chemaxon):3.68

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