Chemical ID: 6409137

CCCCCOc1ccc(cc1)N=C2C=C(C(=O)c3c2cccc3)O
Chemical ID:
6409137
Name [?]:
2-hydroxy-4-(4-pentoxyphenyl)imino-naphthalen-1-one
SMILES [?]:
CCCCCOc1ccc(cc1)N=C2C=C(C(=O)c3c2cccc3)O
InChi [?]:
InChI=1/C21H21NO3/c1-2-3-6-13-25-16-11-9-15(10-12-16)22-19-14-20(23)21(24)18-8-5-4-7-17(18)19/h4-5,7-12,14,23H,2-3,6,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,22,23,4,21,24,9,11,8,12,5,15,10,7,20,19,14,16,17,13,25,18,6/E:(9,10)(11,12)/rA:25nCCCCCOCCCCCCNCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s16;d17;s17;s14s19;d20;s21;d22;d19s23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.75852
Area:570.017
Solvation:-4.4919
Coulombic:-39.2934
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:335.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.28
LogP (Chemaxon):4.67

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Descriptor Annotations

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