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Chemical ID: 6510610
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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