Chemical ID: 4309566

c1ccc2c(c1)c3c(n2C(=O)c4ccc(cc4)[N+](=O)[O-])CCCC3
Chemical ID:
4309566
Name [?]:
(4-nitrophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
SMILES [?]:
c1ccc2c(c1)c3c(n2C(=O)c4ccc(cc4)[N+](=O)[O-])CCCC3
InChi [?]:
InChI=1/C19H16N2O3/c22-19(13-9-11-14(12-10-13)21(23)24)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8H2
InChi Info:
AuxInfo=1/0/N:1,23,2,22,6,24,3,21,13,17,14,16,12,15,5,7,4,8,10,9,18,11,19,20/E:(9,10)(11,12)(23,24)/CRV:21.5/rA:24nCCCCCCCCNCOCCCCCCN+OO-CCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s8;s21;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.35357
Area:508.471
Solvation:-7.3582
Coulombic:-29.3831
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.342
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):4.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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