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Chemical ID: 5240266

Chemical ID:

5240266

Name [?]:

2-(3,10-dimethyl-8-oxa-2,9-diazabicyclo[5.3.0]deca-2,9,11-trien-5-yl)phenol

SMILES [?]:

Cc1c2c(on1)CC(CC(=N2)C)c3ccccc3O

InChi [?]:

InChI=1/C15H16N2O2/c1-9-7-11(12-5-3-4-6-13(12)18)8-14-15(16-9)10(2)17-19-14/h3-6,11,18H,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:12,1,15,16,14,17,9,7,10,2,8,13,18,4,3,11,6,19,5/rA:19cCCCCONCCCCNCCCCCCCO/rB:s1;s2;d3;s4;d2s5;s4;s7;s8;s9;s3d10;s10;s8;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	7.9763
Area:	436.263
Solvation:	-2.93028
Coulombic:	-25.1807

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	256.3
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.05
LogP (Chemaxon):	3.05

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