Chemical ID: 6710357

c1ccc(cc1)C[NH2+]CC(=O)[O-]
Chemical ID:
6710357
Name [?]:
2-benzylammonioacetate
SMILES [?]:
c1ccc(cc1)C[NH2+]CC(=O)[O-]
InChi [?]:
InChI=1/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,9,4,10,8,11,12/E:(2,3)(4,5)(11,12)/rA:12nCCCCCCCN+CCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-24.694
Area:346.166
Solvation:-33.3481
Coulombic:-11.966
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.44
LogP (Chemaxon):-1.34

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Descriptor Annotations

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