ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7511478

Chemical ID:

7511478

Name [?]:

methyl 3-benzhydrylaminopropanoate

SMILES [?]:

COC(=O)CCNC(c1ccccc1)c2ccccc2

InChi [?]:

InChI=1/C17H19NO2/c1-20-16(19)12-13-18-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,18,11,13,17,19,10,14,16,20,5,6,9,15,3,8,7,4,2/E:(2,3)(4,5,6,7)(8,9,10,11)(14,15)/rA:20nCOCOCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₂
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.72665
Area:	492.588
Solvation:	-2.58805
Coulombic:	-30.0914

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.97
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