Chemical ID: 3994507

c1ccc(cc1)CNCCC(=O)O
Chemical ID:
3994507
Name [?]:
3-benzylaminopropanoic acid
SMILES [?]:
c1ccc(cc1)CNCCC(=O)O
InChi [?]:
InChI=1/C10H13NO2/c12-10(13)6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,9,7,4,11,8,12,13/E:(2,3)(4,5)(12,13)/rA:13nCCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.19832
Area:373.871
Solvation:-2.14846
Coulombic:-35.8329
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:179.216
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.07
LogP (Chemaxon):-1.16

Name Annotations

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Descriptor Annotations

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