Chemical ID: 7677461

CCC(C)(C#C)NC(=O)c1ccccc1C(=O)O
Chemical ID:
7677461
Name [?]:
None
SMILES [?]:
CCC(C)(C#C)NC(=O)c1ccccc1C(=O)O
InChi [?]:
InChI=1/C14H15NO3/c1-4-14(3,5-2)15-12(16)10-8-6-7-9-11(10)13(17)18/h1,6-9H,5H2,2-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:6,1,4,5,2,12,13,11,14,10,15,8,16,3,7,9,17,18/E:(17,18)/rA:18cCCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO3
All Atoms:33
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.20837
Area:422.455
Solvation:-3.353
Coulombic:-51.0058
Bond Count [?]
All:18
Single:12
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.3
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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