Chemical ID: 5187524

COC(=O)CCNc1ccccc1c2ccccc2
Chemical ID:
5187524
Name [?]:
methyl 3-(2-phenylphenyl)aminopropanoate
SMILES [?]:
COC(=O)CCNc1ccccc1c2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-19-16(18)11-12-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,11,10,15,19,12,9,5,6,14,13,8,3,7,4,2/E:(3,4)(7,8)/rA:19nCOCOCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.36538
Area:468.721
Solvation:-2.35264
Coulombic:-32.334
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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