Chemical ID: 6510610

CN(C)c1ccc(c2c1cccc2)C(=O)O
Chemical ID:
6510610
Name [?]:
4-dimethylaminonaphthalene-1-carboxylic acid
SMILES [?]:
CN(C)c1ccc(c2c1cccc2)C(=O)O
InChi [?]:
InChI=1/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,12,11,13,10,6,5,8,9,7,4,14,2,15,16/E:(1,2)(15,16)/rA:16nCNCCCCCCCCCCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.56493
Area:380.863
Solvation:-1.95665
Coulombic:-35.4897
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):2.26

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