ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7680600

Chemical ID:

7680600

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C(c2cc3ccccc3o2)N

InChi [?]:

InChI=1/C15H13NO/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10,15H,16H2

InChi Info:

AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,9,4,10,15,8,7,17,16/E:(2,3)(6,7)/rA:17cCCCCCCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s7;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃NO
All Atoms:	30
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.9642
Area:	406.185
Solvation:	-2.19042
Coulombic:	-22.6125

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.77
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value