ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7714921

Chemical ID:

7714921

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)N=c2c(cc3ccc(cc3o2)OC)C(=O)N

InChi [?]:

InChI=1/C18H16N2O3/c1-11-4-3-5-13(8-11)20-18-15(17(19)21)9-12-6-7-14(22-2)10-16(12)23-18/h3-10H,1-2H3,(H2,19,21)

InChi Info:

AuxInfo=1/1/N:1,20,4,3,5,13,14,7,11,16,2,12,6,15,10,17,21,9,23,8,22,19,18/rA:23nCCCCCCCNCCCCCCCCCOOCCON/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s11;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s10;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂O₃
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.02825
Area:	502.29
Solvation:	-4.529
Coulombic:	-47.0584

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.59
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value