ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668810

Chemical ID:

7668810

Name [?]:

None

SMILES [?]:

Cc1cc(cc(c1Cl)C)OCc2ccc(cc2)C(=O)NN

InChi [?]:

InChI=1/C16H17ClN2O2/c1-10-7-14(8-11(2)15(10)17)21-9-12-3-5-13(6-4-12)16(20)19-18/h3-8H,9,18H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,9,13,17,14,16,3,5,11,2,6,12,15,4,7,18,8,21,20,19,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:21nCCCCCCCClCOCCCCCCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇ClN₂O₂
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	9.13398
Area:	515.945
Solvation:	-3.76464
Coulombic:	-37.2684

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.13
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

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Chemical Mix	Source	External ID	Descriptor	Value