Chemical ID: 3965103

c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]2)C=O
Chemical ID:
3965103
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]2)C=O
InChi [?]:
InChI=1/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,6,12,3,15,8,21,5,11,7,18,4,16,9,10,19,17,20,22/rA:22nCCCCCCCCCCCCCCCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s9s16;d10;d7s18;s4s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.59789
Area:454.505
Solvation:-2.76474
Coulombic:-30.4549
Bond Count [?]
All:26
Single:16
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.311
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.74
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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