Chemical ID: 6706822

c1ccc2c(c1)CC([NH2+]C2)C(=O)[O-]
Chemical ID:
6706822
Name [?]:
3,4-dihydro-1H-isoquinoline-3-carboxylate
SMILES [?]:
c1ccc2c(c1)CC([NH2+]C2)C(=O)[O-]
InChi [?]:
InChI=1/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,10,5,4,8,11,9,12,13/E:(12,13)/rA:13cCCCCCCCCN+CCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-19.3191
Area:332.189
Solvation:-27.6238
Coulombic:-18.4799
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.2
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.38
LogP (Chemaxon):-1.16

Name Annotations

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Descriptor Annotations

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