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Chemical ID: 5187524
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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