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Chemical ID: 4850846

Chemical ID:

4850846

Name [?]:

2-(3-quinolylaminomethyl)phenol

SMILES [?]:

c1ccc2c(c1)cc(cn2)NCc3ccccc3O

InChi [?]:

InChI=1/C16H14N2O/c19-16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14/h1-9,11,17,19H,10H2

InChi Info:

AuxInfo=1/0/N:1,15,2,16,6,14,3,17,7,12,9,5,13,8,4,18,11,10,19/rA:19nCCCCCCCCCNNCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.55505
Area:	443.86
Solvation:	-2.54145
Coulombic:	-35.2263

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	250.295
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.08
LogP (Chemaxon):	3.2

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value